(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide

C15H21ClN2O — CID 120617586

IUPAC(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)N(C)Cc2cccc(Cl)c2)CCN1
InChIInChI=1S/C15H21ClN2O/c1-11-8-13(6-7-17-11)15(19)18(2)10-12-4-3-5-14(16)9-12/h3-5,9,11,13,17H,6-8,10H2,1-2H3/t11-,13-/m0/s1
InChIKeyJJMWYHGJZBZNFL-AAEUAGOBSA-N
MW280.80 g/mol
LogP2.69
Rot. Bonds3

About (2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide

(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide (PubChem CID 120617586) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
PubChem CID120617586
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)N(C)Cc2cccc(Cl)c2)CCN1
InChIInChI=1S/C15H21ClN2O/c1-11-8-13(6-7-17-11)15(19)18(2)10-12-4-3-5-14(16)9-12/h3-5,9,11,13,17H,6-8,10H2,1-2H3/t11-,13-/m0/s1
InChIKeyJJMWYHGJZBZNFL-AAEUAGOBSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120640700
(2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120617441
4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 54868902
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
acetic acid;(1S,3R,4R)-3-amino-N-[(3-chlorophenyl)methyl]-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 155971944
N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982133
(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629959
(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 120618816
N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 106739419
N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975494
(2S,4S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629624
(2S,4S)-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624705

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide (CID 120617586) is (2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)N(C)Cc2cccc(Cl)c2)CCN1.
What is the InChIKey of (2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide?
The InChIKey is JJMWYHGJZBZNFL-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-8-13(6-7-17-11)15(19)18(2)10-12-4-3-5-14(16)9-12/h3-5,9,11,13,17H,6-8,10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide?
(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 120617586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).