N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide

C16H21N3O — CID 114428897

IUPACN-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2cc(C#N)ccc2C)C1
InChIInChI=1S/C16H21N3O/c1-3-12-6-7-18-15(8-12)16(20)19-14-9-13(10-17)5-4-11(14)2/h4-5,9,12,15,18H,3,6-8H2,1-2H3,(H,19,20)
InChIKeyOGBSVDMHBQEDKE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.58
Rot. Bonds3

About N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide

N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide (PubChem CID 114428897) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide
PubChem CID114428897
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2cc(C#N)ccc2C)C1
InChIInChI=1S/C16H21N3O/c1-3-12-6-7-18-15(8-12)16(20)19-14-9-13(10-17)5-4-11(14)2/h4-5,9,12,15,18H,3,6-8H2,1-2H3,(H,19,20)
InChIKeyOGBSVDMHBQEDKE-UHFFFAOYSA-N
XLogP2.58
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427932
N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779307
5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 114429036
N-(2,6-dichloro-3-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427824
4-ethyl-N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 114428947
4-ethyl-N-(3-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 114428836
N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107436239
N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114429344
4-ethyl-N-(2-methoxyphenyl)piperidine-2-carboxamide
CID 114427816
4-bromo-2-[(4-ethylpiperidine-2-carbonyl)amino]benzoic acid
CID 114428674
3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 114428301
N-(2,5-dimethoxyphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427861

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide (CID 114428897) is N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide is CCC1CCNC(C(=O)Nc2cc(C#N)ccc2C)C1.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide?
The InChIKey is OGBSVDMHBQEDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-12-6-7-18-15(8-12)16(20)19-14-9-13(10-17)5-4-11(14)2/h4-5,9,12,15,18H,3,6-8H2,1-2H3,(H,19,20).
What are the key properties of N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide?
N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 114428897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).