(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide

C14H19ClN2O — CID 99773447

IUPAC(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(C)C2)cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-5-6-12(8-13(10)15)16-14(18)11-4-3-7-17(2)9-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyTYFJLRQKGRBWSZ-NSHDSACASA-N
MW266.77 g/mol
LogP2.93
Rot. Bonds2

About (3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide

(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide (PubChem CID 99773447) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
PubChem CID99773447
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(C)C2)cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-5-6-12(8-13(10)15)16-14(18)11-4-3-7-17(2)9-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyTYFJLRQKGRBWSZ-NSHDSACASA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96596420
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
CID 95923491
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857626
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396495
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide (CID 99773447) is (3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCN(C)C2)cc1Cl.
What is the InChIKey of (3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide?
The InChIKey is TYFJLRQKGRBWSZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-5-6-12(8-13(10)15)16-14(18)11-4-3-7-17(2)9-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide?
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 99773447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).