3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide

C22H26N4O — CID 155878993

IUPAC3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1(Nc2ccccc2)CCCN(Cc2ccccc2C#N)C1
InChIInChI=1S/C22H26N4O/c1-25(2)21(27)22(24-20-11-4-3-5-12-20)13-8-14-26(17-22)16-19-10-7-6-9-18(19)15-23/h3-7,9-12,24H,8,13-14,16-17H2,1-2H3
InChIKeyBMBOWUJHDOPORE-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.09
Rot. Bonds5

About 3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide

3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 155878993) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID155878993
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1(Nc2ccccc2)CCCN(Cc2ccccc2C#N)C1
InChIInChI=1S/C22H26N4O/c1-25(2)21(27)22(24-20-11-4-3-5-12-20)13-8-14-26(17-22)16-19-10-7-6-9-18(19)15-23/h3-7,9-12,24H,8,13-14,16-17H2,1-2H3
InChIKeyBMBOWUJHDOPORE-UHFFFAOYSA-N
XLogP3.09
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155879167
1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63136876
3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 155878831
3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid
CID 171692325
4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155879946
4-anilino-1-[(2-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155878897
1-[(2-cyanophenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126646
2-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]benzonitrile
CID 95711129
2-(aziridin-1-ylmethyl)benzonitrile
CID 102051024
4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155873984
2-[[4-(1-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 137345347
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide (CID 155878993) is 3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)C1(Nc2ccccc2)CCCN(Cc2ccccc2C#N)C1.
What is the InChIKey of 3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is BMBOWUJHDOPORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-25(2)21(27)22(24-20-11-4-3-5-12-20)13-8-14-26(17-22)16-19-10-7-6-9-18(19)15-23/h3-7,9-12,24H,8,13-14,16-17H2,1-2H3.
What are the key properties of 3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide?
3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 155878993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).