N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide

C16H19N3O2 — CID 103993105

IUPACN-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1
InChIInChI=1S/C16H19N3O2/c1-12(20)13-3-5-14(6-4-13)18-15(21)19-9-7-16(2,11-17)8-10-19/h3-6H,7-10H2,1-2H3,(H,18,21)
InChIKeyIWJABUNGIOBETH-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.05
Rot. Bonds2

About N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide

N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide (PubChem CID 103993105) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
PubChem CID103993105
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1
InChIInChI=1S/C16H19N3O2/c1-12(20)13-3-5-14(6-4-13)18-15(21)19-9-7-16(2,11-17)8-10-19/h3-6H,7-10H2,1-2H3,(H,18,21)
InChIKeyIWJABUNGIOBETH-UHFFFAOYSA-N
XLogP3.05
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide
CID 107406879
N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
CID 103993100
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
CID 119072401
N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
CID 61347422
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
N-(4-acetamidophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989746
N-(4-acetylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115766537
1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031650
N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide (CID 103993105) is N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide?
The InChIKey is IWJABUNGIOBETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(20)13-3-5-14(6-4-13)18-15(21)19-9-7-16(2,11-17)8-10-19/h3-6H,7-10H2,1-2H3,(H,18,21).
What are the key properties of N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide?
N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 103993105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).