(2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide

C17H26N2O — CID 120633740

IUPAC(2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCc1cccc(C(C)NC(=O)[C@H]2CCN[C@@H](C)C2)c1C
InChIInChI=1S/C17H26N2O/c1-11-6-5-7-16(13(11)3)14(4)19-17(20)15-8-9-18-12(2)10-15/h5-7,12,14-15,18H,8-10H2,1-4H3,(H,19,20)/t12-,14?,15-/m0/s1
InChIKeyWBKNTVCAKOTQJA-JDLVMGNASA-N
MW274.41 g/mol
LogP2.87
Rot. Bonds3

About (2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120633740) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
PubChem CID120633740
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCc1cccc(C(C)NC(=O)[C@H]2CCN[C@@H](C)C2)c1C
InChIInChI=1S/C17H26N2O/c1-11-6-5-7-16(13(11)3)14(4)19-17(20)15-8-9-18-12(2)10-15/h5-7,12,14-15,18H,8-10H2,1-4H3,(H,19,20)/t12-,14?,15-/m0/s1
InChIKeyWBKNTVCAKOTQJA-JDLVMGNASA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 119327095
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120616178
ethyl 3-(2-methylphenyl)-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120638128
ethyl 3-(2-methylphenyl)-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate;hydrochloride
CID 120638127
(2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
CID 120631942
2-methyl-N-[1-(2-methylphenyl)propan-2-yl]piperidine-4-carboxamide
CID 106739216
(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637835
(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622085
(2S,4S)-N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624260
(2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636090

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide (CID 120633740) is (2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide is Cc1cccc(C(C)NC(=O)[C@H]2CCN[C@@H](C)C2)c1C.
What is the InChIKey of (2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is WBKNTVCAKOTQJA-JDLVMGNASA-N. The full InChI is InChI=1S/C17H26N2O/c1-11-6-5-7-16(13(11)3)14(4)19-17(20)15-8-9-18-12(2)10-15/h5-7,12,14-15,18H,8-10H2,1-4H3,(H,19,20)/t12-,14?,15-/m0/s1.
What are the key properties of (2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120633740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).