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(2S)-N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide,C

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摘 要: (2S)-N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide,Canonical SMILES: CC(C(=O)NC1CCCC1)N2CCN(CC2)C3=CC=CC=C3OC,Isomeric SMILES: C[C@@H](C(=O)NC1CCCC1)N2CCN(CC2)C3=CC=CC=C3OC,InChI: InChI=1/C19H29N3O2/c1-15(19(23)20-16-7-3-4-8-16)21-1
[Synonyms]

[Structure]
 (2S)-N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide,C

[ Properties Computed from Structure]
Molecular Weight331.45246 [g/mol]
Molecular FormulaC19H29N3O2
XLogP2.7
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count2
Exact Mass331.225977
MonoIsotopic Mass331.225977
Topological Polar Surface Area44.8
Heavy Atom Count24
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2S)-N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
Canonical SMILES: CC(C(=O)NC1CCCC1)N2CCN(CC2)C3=CC=CC=C3OC
Isomeric SMILES: C[C@@H](C(=O)NC1CCCC1)N2CCN(CC2)C3=CC=CC=C3OC
InChI: InChI=1/C19H29N3O2/c1-15(19(23)20-16-7-3-4-8-16)21-11-13-22(14-12-21)17-
9-5-6-10-18(17)24-2/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3,(H,20,
23)/t15-/m0/s1/f/h20H

 
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