N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide

C15H21N3O2 — CID 104596248

IUPACN-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide
SMILESCc1c(NC(=O)C2(C)CCCCN2)cccc1C(N)=O
InChIInChI=1S/C15H21N3O2/c1-10-11(13(16)19)6-5-7-12(10)18-14(20)15(2)8-3-4-9-17-15/h5-7,17H,3-4,8-9H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyQCEHONSVFOLRAL-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.56
Rot. Bonds3

About N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide

N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide (PubChem CID 104596248) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide
PubChem CID104596248
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide
SMILESCc1c(NC(=O)C2(C)CCCCN2)cccc1C(N)=O
InChIInChI=1S/C15H21N3O2/c1-10-11(13(16)19)6-5-7-12(10)18-14(20)15(2)8-3-4-9-17-15/h5-7,17H,3-4,8-9H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyQCEHONSVFOLRAL-UHFFFAOYSA-N
XLogP1.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368535
N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127964
2-methyl-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 104596031
N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide
CID 104596304
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368554
2-methyl-N-(4-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 113368673
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide
CID 86982921
2-methyl-N-(3-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 104596093
4-bromo-2-[(2-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 104596607
N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 107528549
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63139755
N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
CID 113430886

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide (CID 104596248) is N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide is Cc1c(NC(=O)C2(C)CCCCN2)cccc1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is QCEHONSVFOLRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-11(13(16)19)6-5-7-12(10)18-14(20)15(2)8-3-4-9-17-15/h5-7,17H,3-4,8-9H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide?
N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.56, 3 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)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).