1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide

C17H22N4O2 — CID 51099242

IUPAC1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(C(=O)CNc2ccc(C#N)cc2)C1
InChIInChI=1S/C17H22N4O2/c1-20(2)17(23)14-4-3-9-21(12-14)16(22)11-19-15-7-5-13(10-18)6-8-15/h5-8,14,19H,3-4,9,11-12H2,1-2H3
InChIKeySCPDLVCNBKLBQR-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.30
Rot. Bonds4

About 1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide

1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 51099242) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID51099242
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(C(=O)CNc2ccc(C#N)cc2)C1
InChIInChI=1S/C17H22N4O2/c1-20(2)17(23)14-4-3-9-21(12-14)16(22)11-19-15-7-5-13(10-18)6-8-15/h5-8,14,19H,3-4,9,11-12H2,1-2H3
InChIKeySCPDLVCNBKLBQR-UHFFFAOYSA-N
XLogP1.30
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(4-cyanoanilino)acetyl]-N-cyclopropylpiperidine-3-carboxamide
CID 94392086
4-[(2-oxo-2-piperazin-1-ylethyl)amino]benzonitrile
CID 60895306
4-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]amino]benzonitrile
CID 48500248
1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide
CID 51128375
4-[[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]benzonitrile
CID 126832113
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
CID 47085267
tert-butyl (3S)-3-[(4-cyanophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate
CID 97177316
4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide
CID 47123026
3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 56823749
ethyl 1-[2-(4-cyanoanilino)-2-oxoacetyl]piperidine-3-carboxylate
CID 108519415
N,N-dimethyl-1-pentanoylpiperidine-3-carboxamide
CID 60601624
methyl (3S)-1-(4-cyanobenzoyl)piperidine-3-carboxylate
CID 78919442

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide (CID 51099242) is 1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)C1CCCN(C(=O)CNc2ccc(C#N)cc2)C1.
What is the InChIKey of 1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is SCPDLVCNBKLBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20(2)17(23)14-4-3-9-21(12-14)16(22)11-19-15-7-5-13(10-18)6-8-15/h5-8,14,19H,3-4,9,11-12H2,1-2H3.
What are the key properties of 1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide?
1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 51099242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).