4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile

C24H22N4O — CID 70797802

IUPAC4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1
InChIInChI=1S/C24H22N4O/c25-18-24(20-4-2-1-3-5-20)12-16-28(17-13-24)23(29)19-6-8-21(9-7-19)27-22-10-14-26-15-11-22/h1-11,14-15H,12-13,16-17H2,(H,26,27)
InChIKeyHUXJLDNQZJHGIH-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.52
Rot. Bonds4

About 4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile

4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile (PubChem CID 70797802) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile
PubChem CID70797802
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1
InChIInChI=1S/C24H22N4O/c25-18-24(20-4-2-1-3-5-20)12-16-28(17-13-24)23(29)19-6-8-21(9-7-19)27-22-10-14-26-15-11-22/h1-11,14-15H,12-13,16-17H2,(H,26,27)
InChIKeyHUXJLDNQZJHGIH-UHFFFAOYSA-N
XLogP4.52
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile
CID 74239752
4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide
CID 3717988
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
methyl 3-[1-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 6734205
1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile
CID 77095886
1-benzoyl-4-hydroxypiperidine-4-carbonitrile
CID 13284424
1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 44756891
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile
CID 97140404
N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide
CID 23582885
1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
CID 110711531
4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide
CID 3249682

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile?
The IUPAC name of 4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile (CID 70797802) is 4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1.
What is the InChIKey of 4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile?
The InChIKey is HUXJLDNQZJHGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c25-18-24(20-4-2-1-3-5-20)12-16-28(17-13-24)23(29)19-6-8-21(9-7-19)27-22-10-14-26-15-11-22/h1-11,14-15H,12-13,16-17H2,(H,26,27).
What are the key properties of 4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile?
4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile has a molecular weight of 382.47 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile is sourced from PubChem (CID 70797802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).