N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide

C16H23N3O2 — CID 63127964

IUPACN-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2cccc(C(N)=O)c2C)CCNCC1
InChIInChI=1S/C16H23N3O2/c1-3-16(7-9-18-10-8-16)15(21)19-13-6-4-5-12(11(13)2)14(17)20/h4-6,18H,3,7-10H2,1-2H3,(H2,17,20)(H,19,21)
InChIKeyHJDLMNYCGSYZAR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.81
Rot. Bonds4

About N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide

N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide (PubChem CID 63127964) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide
PubChem CID63127964
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2cccc(C(N)=O)c2C)CCNCC1
InChIInChI=1S/C16H23N3O2/c1-3-16(7-9-18-10-8-16)15(21)19-13-6-4-5-12(11(13)2)14(17)20/h4-6,18H,3,7-10H2,1-2H3,(H2,17,20)(H,19,21)
InChIKeyHJDLMNYCGSYZAR-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 104596248
N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide
CID 63128122
N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide
CID 55177786
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63139755
N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 63128180
4-ethyl-N-quinolin-5-ylpiperidine-4-carboxamide
CID 63127284
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656
2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63722427
3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid
CID 63128962
4-ethyl-N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide
CID 63128400
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate
CID 115447650

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide (CID 63127964) is N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)Nc2cccc(C(N)=O)c2C)CCNCC1.
What is the InChIKey of N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide?
The InChIKey is HJDLMNYCGSYZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-16(7-9-18-10-8-16)15(21)19-13-6-4-5-12(11(13)2)14(17)20/h4-6,18H,3,7-10H2,1-2H3,(H2,17,20)(H,19,21).
What are the key properties of N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide?
N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 63127964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).