2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide

C16H24N2O — CID 104597062

IUPAC2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
SMILESCc1cccc([C@H](C)NC(=O)C2(C)CCCCN2)c1
InChIInChI=1S/C16H24N2O/c1-12-7-6-8-14(11-12)13(2)18-15(19)16(3)9-4-5-10-17-16/h6-8,11,13,17H,4-5,9-10H2,1-3H3,(H,18,19)/t13-,16?/m0/s1
InChIKeyAONKJYYZRSMBKD-KNVGNIICSA-N
MW260.38 g/mol
LogP2.70
Rot. Bonds3

About 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide

2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide (PubChem CID 104597062) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
PubChem CID104597062
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
SMILESCc1cccc([C@H](C)NC(=O)C2(C)CCCCN2)c1
InChIInChI=1S/C16H24N2O/c1-12-7-6-8-14(11-12)13(2)18-15(19)16(3)9-4-5-10-17-16/h6-8,11,13,17H,4-5,9-10H2,1-3H3,(H,18,19)/t13-,16?/m0/s1
InChIKeyAONKJYYZRSMBKD-KNVGNIICSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide
CID 141351308
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
CID 104597060
4-[(1S)-1-[[(2R)-2-methylpiperidine-2-carbonyl]amino]ethyl]benzoic acid;hydrochloride
CID 174801370
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-2-carboxamide
CID 104596225
2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide
CID 81410580
2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81379976
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
CID 104597078
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide
CID 81364307
N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81367899
N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide
CID 104596194
methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 104596729
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 132850278

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide (CID 104597062) is 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide is Cc1cccc([C@H](C)NC(=O)C2(C)CCCCN2)c1.
What is the InChIKey of 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide?
The InChIKey is AONKJYYZRSMBKD-KNVGNIICSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-7-6-8-14(11-12)13(2)18-15(19)16(3)9-4-5-10-17-16/h6-8,11,13,17H,4-5,9-10H2,1-3H3,(H,18,19)/t13-,16?/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide?
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 104597062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).