(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C20H24Cl2N2O — CID 120623965

IUPAC(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NC(c2ccccc2)c2cccc(Cl)c2)CCN1.Cl
InChIInChI=1S/C20H23ClN2O.ClH/c1-14-12-17(10-11-22-14)20(24)23-19(15-6-3-2-4-7-15)16-8-5-9-18(21)13-16;/h2-9,13-14,17,19,22H,10-12H2,1H3,(H,23,24);1H/t14-,17-,19?;/m0./s1
InChIKeyLAHQHAVYDUCRLV-UIBFWGOJSA-N
MW379.33 g/mol
LogP4.36
Rot. Bonds4

About (2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120623965) has the molecular formula C20H24Cl2N2O and a molecular weight of 379.33 g/mol. Its IUPAC name is (2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120623965
Molecular FormulaC20H24Cl2N2O
Molecular Weight379.33 g/mol
Exact Mass378.13
IUPAC Name(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NC(c2ccccc2)c2cccc(Cl)c2)CCN1.Cl
InChIInChI=1S/C20H23ClN2O.ClH/c1-14-12-17(10-11-22-14)20(24)23-19(15-6-3-2-4-7-15)16-8-5-9-18(21)13-16;/h2-9,13-14,17,19,22H,10-12H2,1H3,(H,23,24);1H/t14-,17-,19?;/m0./s1
InChIKeyLAHQHAVYDUCRLV-UIBFWGOJSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide
CID 120623966
(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
CID 120634235
(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 129415304
2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975283
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996
3-amino-N-[(3-chlorophenyl)-phenylmethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736446
(2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631631
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
(2S,4S)-N-[cyclopentyl(phenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624090
(2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640514
(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120618230

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120623965) is (2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NC(c2ccccc2)c2cccc(Cl)c2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is LAHQHAVYDUCRLV-UIBFWGOJSA-N. The full InChI is InChI=1S/C20H23ClN2O.ClH/c1-14-12-17(10-11-22-14)20(24)23-19(15-6-3-2-4-7-15)16-8-5-9-18(21)13-16;/h2-9,13-14,17,19,22H,10-12H2,1H3,(H,23,24);1H/t14-,17-,19?;/m0./s1.
What are the key properties of (2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 379.33 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120623965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).