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

C17H26N2O — CID 104921936

IUPAC4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)N[C@@H](C)c2cccc(C)c2)C1
InChIInChI=1S/C17H26N2O/c1-4-14-8-9-18-16(11-14)17(20)19-13(3)15-7-5-6-12(2)10-15/h5-7,10,13-14,16,18H,4,8-9,11H2,1-3H3,(H,19,20)/t13-,14?,16?/m0/s1
InChIKeyPSXZWGBIOBGSCA-HLIUYOAVSA-N
MW274.41 g/mol
LogP2.95
Rot. Bonds4

About 4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide

4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide (PubChem CID 104921936) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
PubChem CID104921936
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)N[C@@H](C)c2cccc(C)c2)C1
InChIInChI=1S/C17H26N2O/c1-4-14-8-9-18-16(11-14)17(20)19-13(3)15-7-5-6-12(2)10-15/h5-7,10,13-14,16,18H,4,8-9,11H2,1-3H3,(H,19,20)/t13-,14?,16?/m0/s1
InChIKeyPSXZWGBIOBGSCA-HLIUYOAVSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(1-phenylethyl)piperidine-2-carboxamide
CID 114427805
(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81360819
4-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104921952
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81360733
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
N-[1-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423587
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide
CID 114428229
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide
CID 114428161
4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81361448
2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol
CID 114425978
3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81360857
N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide
CID 114428187

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide (CID 104921936) is 4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide is CCC1CCNC(C(=O)N[C@@H](C)c2cccc(C)c2)C1.
What is the InChIKey of 4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide?
The InChIKey is PSXZWGBIOBGSCA-HLIUYOAVSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-14-8-9-18-16(11-14)17(20)19-13(3)15-7-5-6-12(2)10-15/h5-7,10,13-14,16,18H,4,8-9,11H2,1-3H3,(H,19,20)/t13-,14?,16?/m0/s1.
What are the key properties of 4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide?
4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 104921936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).