N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide

C22H23N5O2 — CID 24615839

IUPACN-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)c2ccc(Cn3cncn3)cc2)C1
InChIInChI=1S/C22H23N5O2/c28-21(25-20-6-2-1-3-7-20)19-5-4-12-26(14-19)22(29)18-10-8-17(9-11-18)13-27-16-23-15-24-27/h1-3,6-11,15-16,19H,4-5,12-14H2,(H,25,28)
InChIKeyJLXNEYYPCSWSGK-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.82
Rot. Bonds5

About N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide

N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide (PubChem CID 24615839) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide
PubChem CID24615839
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)c2ccc(Cn3cncn3)cc2)C1
InChIInChI=1S/C22H23N5O2/c28-21(25-20-6-2-1-3-7-20)19-5-4-12-26(14-19)22(29)18-10-8-17(9-11-18)13-27-16-23-15-24-27/h1-3,6-11,15-16,19H,4-5,12-14H2,(H,25,28)
InChIKeyJLXNEYYPCSWSGK-UHFFFAOYSA-N
XLogP2.82
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-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

(3R)-1-(4-chlorobenzoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 51960621
piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 53001379
1-(4-methylbenzoyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 55970448
(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 25401110
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 30938195
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 96557834
1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide (CID 24615839) is N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(C(=O)c2ccc(Cn3cncn3)cc2)C1.
What is the InChIKey of N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide?
The InChIKey is JLXNEYYPCSWSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21(25-20-6-2-1-3-7-20)19-5-4-12-26(14-19)22(29)18-10-8-17(9-11-18)13-27-16-23-15-24-27/h1-3,6-11,15-16,19H,4-5,12-14H2,(H,25,28).
What are the key properties of N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide?
N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 24615839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).