N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide

C14H19N3O2 — CID 107811444

IUPACN-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide
SMILESCC1NCCCC1C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H19N3O2/c1-9-12(6-3-7-16-9)14(19)17-11-5-2-4-10(8-11)13(15)18/h2,4-5,8-9,12,16H,3,6-7H2,1H3,(H2,15,18)(H,17,19)
InChIKeyZYQGJVWNHORAFD-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.11
Rot. Bonds3

About N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide

N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide (PubChem CID 107811444) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide
PubChem CID107811444
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide
SMILESCC1NCCCC1C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H19N3O2/c1-9-12(6-3-7-16-9)14(19)17-11-5-2-4-10(8-11)13(15)18/h2,4-5,8-9,12,16H,3,6-7H2,1H3,(H2,15,18)(H,17,19)
InChIKeyZYQGJVWNHORAFD-UHFFFAOYSA-N
XLogP1.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)phenyl]-2-methylpiperidine-3-carboxamide
CID 115377873
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977967
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574822
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388750
2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79388429
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
3-[[(1R,2R)-2-carboxycyclohexanecarbonyl]amino]benzoic acid
CID 761879
3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549960

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide (CID 107811444) is N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide is CC1NCCCC1C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide?
The InChIKey is ZYQGJVWNHORAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-12(6-3-7-16-9)14(19)17-11-5-2-4-10(8-11)13(15)18/h2,4-5,8-9,12,16H,3,6-7H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide?
N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide is sourced from PubChem (CID 107811444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).