4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide

C16H22N4O — CID 83268731

IUPAC4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(Nc2ccc(CC#N)cc2)CC1
InChIInChI=1S/C16H22N4O/c1-19(2)16(21)20-11-8-15(9-12-20)18-14-5-3-13(4-6-14)7-10-17/h3-6,15,18H,7-9,11-12H2,1-2H3
InChIKeyRXGTUQADYZKYAJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.31
Rot. Bonds3

About 4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide

4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83268731) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83268731
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(Nc2ccc(CC#N)cc2)CC1
InChIInChI=1S/C16H22N4O/c1-19(2)16(21)20-11-8-15(9-12-20)18-14-5-3-13(4-6-14)7-10-17/h3-6,15,18H,7-9,11-12H2,1-2H3
InChIKeyRXGTUQADYZKYAJ-UHFFFAOYSA-N
XLogP2.31
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-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

ethyl 4-[4-(cyanomethyl)anilino]piperidine-1-carboxylate
CID 43786390
2-[4-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]acetonitrile
CID 43722185
4-(4-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83201733
4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83242183
4-(3,5-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202832
4-(4-cyanoanilino)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]piperidine-1-carboxamide
CID 23661376
4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202747
2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile
CID 104862583
2-[4-[(3-methoxycyclobutyl)amino]phenyl]acetonitrile
CID 104872170
4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 107597406
2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720741
4-(4-cyanoanilino)piperidine-1-carboxylic acid
CID 69182626

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide (CID 83268731) is 4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(Nc2ccc(CC#N)cc2)CC1.
What is the InChIKey of 4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is RXGTUQADYZKYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19(2)16(21)20-11-8-15(9-12-20)18-14-5-3-13(4-6-14)7-10-17/h3-6,15,18H,7-9,11-12H2,1-2H3.
What are the key properties of 4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide?
4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83268731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).