N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide

C16H20N4O2 — CID 119072401

IUPACN-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)N1CCC(C)(C#N)CC1
InChIInChI=1S/C16H20N4O2/c1-11-9-12(14(18)21)3-4-13(11)19-15(22)20-7-5-16(2,10-17)6-8-20/h3-4,9H,5-8H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyNOOQMXNWZPKJSF-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.25
Rot. Bonds2

About N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide

N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide (PubChem CID 119072401) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
PubChem CID119072401
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)N1CCC(C)(C#N)CC1
InChIInChI=1S/C16H20N4O2/c1-11-9-12(14(18)21)3-4-13(11)19-15(22)20-7-5-16(2,10-17)6-8-20/h3-4,9H,5-8H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyNOOQMXNWZPKJSF-UHFFFAOYSA-N
XLogP2.25
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide
CID 74244825
N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
CID 103993105
N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
CID 103993100
N-(4-bromo-2-methylphenyl)-4-cyano-4-phenylpiperidine-1-carboxamide
CID 3822406
3-[1-[(4-carbamoyl-2-methylphenyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 146096658
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
4-cyano-4-methylpiperidine-1-carboxamide
CID 103975376
4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3864975
4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide
CID 79851201
4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735
4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide
CID 79322701
3-methyl-4-(3-oxobutanoylamino)benzamide
CID 61251334

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide (CID 119072401) is N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide is Cc1cc(C(N)=O)ccc1NC(=O)N1CCC(C)(C#N)CC1.
What is the InChIKey of N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide?
The InChIKey is NOOQMXNWZPKJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-9-12(14(18)21)3-4-13(11)19-15(22)20-7-5-16(2,10-17)6-8-20/h3-4,9H,5-8H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide?
N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 119072401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).