(2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide

C16H23ClN2O — CID 120629610

IUPAC(2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCCc2ccc(Cl)cc2)CCN1
InChIInChI=1S/C16H23ClN2O/c1-12-11-14(8-10-18-12)16(20)19-9-2-3-13-4-6-15(17)7-5-13/h4-7,12,14,18H,2-3,8-11H2,1H3,(H,19,20)/t12-,14-/m0/s1
InChIKeyZUQNQZPKYBFVMT-JSGCOSHPSA-N
MW294.83 g/mol
LogP2.78
Rot. Bonds5

About (2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120629610) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide
PubChem CID120629610
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCCc2ccc(Cl)cc2)CCN1
InChIInChI=1S/C16H23ClN2O/c1-12-11-14(8-10-18-12)16(20)19-9-2-3-13-4-6-15(17)7-5-13/h4-7,12,14,18H,2-3,8-11H2,1H3,(H,19,20)/t12-,14-/m0/s1
InChIKeyZUQNQZPKYBFVMT-JSGCOSHPSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
(2S,4S)-2-methyl-N-[4-(4-nitrophenyl)butyl]piperidine-4-carboxamide;hydrochloride
CID 120631574
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
(2S,4S)-N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120639627
(2S,4S)-N-[2-(2,6-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625296
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
(2S,4S)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120630711
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739949
(2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623938
(2S,4S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634745
(2S,4S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616882

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide (CID 120629610) is (2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCCCc2ccc(Cl)cc2)CCN1.
What is the InChIKey of (2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is ZUQNQZPKYBFVMT-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12-11-14(8-10-18-12)16(20)19-9-2-3-13-4-6-15(17)7-5-13/h4-7,12,14,18H,2-3,8-11H2,1H3,(H,19,20)/t12-,14-/m0/s1.
What are the key properties of (2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120629610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).