1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide

C20H19N3O2 — CID 46657993

IUPAC1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
SMILESN#Cc1ccc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C20H19N3O2/c21-13-15-8-10-16(11-9-15)20(25)23-12-4-5-17(14-23)19(24)22-18-6-2-1-3-7-18/h1-3,6-11,17H,4-5,12,14H2,(H,22,24)
InChIKeySOGKVNYGHMFYFT-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.05
Rot. Bonds3

About 1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide

1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 46657993) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
PubChem CID46657993
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
SMILESN#Cc1ccc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C20H19N3O2/c21-13-15-8-10-16(11-9-15)20(25)23-12-4-5-17(14-23)19(24)22-18-6-2-1-3-7-18/h1-3,6-11,17H,4-5,12,14H2,(H,22,24)
InChIKeySOGKVNYGHMFYFT-UHFFFAOYSA-N
XLogP3.05
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzoylpiperidine-3-carbonyl)benzonitrile
CID 142430135
(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
CID 9110672
N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51271965
(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 25401110
methyl (3S)-1-(4-cyanobenzoyl)piperidine-3-carboxylate
CID 78919442
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097
(3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide
CID 25471392

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide (CID 46657993) is 1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide is N#Cc1ccc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is SOGKVNYGHMFYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c21-13-15-8-10-16(11-9-15)20(25)23-12-4-5-17(14-23)19(24)22-18-6-2-1-3-7-18/h1-3,6-11,17H,4-5,12,14H2,(H,22,24).
What are the key properties of 1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide?
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 46657993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).