(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide

C23H29ClN2O — CID 38102289

IUPAC(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C23H29ClN2O/c1-18(13-14-19-8-3-2-4-9-19)25-23(27)21-11-7-15-26(17-21)16-20-10-5-6-12-22(20)24/h2-6,8-10,12,18,21H,7,11,13-17H2,1H3,(H,25,27)/t18-,21-/m0/s1
InChIKeyYOUPGUBFZYNQOW-RXVVDRJESA-N
MW384.95 g/mol
LogP4.69
Rot. Bonds7

About (3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide

(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide (PubChem CID 38102289) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is (3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
PubChem CID38102289
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC Name(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C23H29ClN2O/c1-18(13-14-19-8-3-2-4-9-19)25-23(27)21-11-7-15-26(17-21)16-20-10-5-6-12-22(20)24/h2-6,8-10,12,18,21H,7,11,13-17H2,1H3,(H,25,27)/t18-,21-/m0/s1
InChIKeyYOUPGUBFZYNQOW-RXVVDRJESA-N
XLogP4.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 93491358
(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 38102879
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
CID 46776562
N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride
CID 120507626
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43918490
1-[(2-chlorophenyl)methyl]-N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
CID 132664361
methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate
CID 95967789
(3R)-N-[(2S)-butan-2-yl]-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490067
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676
N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918918

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide (CID 38102289) is (3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide?
The InChIKey is YOUPGUBFZYNQOW-RXVVDRJESA-N. The full InChI is InChI=1S/C23H29ClN2O/c1-18(13-14-19-8-3-2-4-9-19)25-23(27)21-11-7-15-26(17-21)16-20-10-5-6-12-22(20)24/h2-6,8-10,12,18,21H,7,11,13-17H2,1H3,(H,25,27)/t18-,21-/m0/s1.
What are the key properties of (3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide?
(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide has a molecular weight of 384.95 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 38102289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).