N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide

C22H25N5O3S — CID 90592379

IUPACN-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
SMILESCn1cnnc1S(=O)(=O)C1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H25N5O3S/c1-26-16-23-25-22(26)31(29,30)19-12-14-27(15-13-19)21(28)24-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,24,28)
InChIKeyNHWUWKPVUJPSOD-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.55
Rot. Bonds5

About N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide

N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide (PubChem CID 90592379) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
PubChem CID90592379
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
SMILESCn1cnnc1S(=O)(=O)C1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H25N5O3S/c1-26-16-23-25-22(26)31(29,30)19-12-14-27(15-13-19)21(28)24-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,24,28)
InChIKeyNHWUWKPVUJPSOD-UHFFFAOYSA-N
XLogP2.55
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-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

(2R)-1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]azetidin-1-yl]-2-phenylbutan-1-one
CID 124759739
1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]azetidin-1-yl]-2-phenylbutan-1-one
CID 91814463
N-[(4-chlorophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
CID 90592378
[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 90592105
N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
CID 90592387
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
(3-iodophenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592361
1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592330
2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone
CID 90592311
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-(3-phenylphenyl)sulfonylpiperidine
CID 90592493
N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165108
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine
CID 71809109

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide?
The IUPAC name of N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide (CID 90592379) is N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide is Cn1cnnc1S(=O)(=O)C1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide?
The InChIKey is NHWUWKPVUJPSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-26-16-23-25-22(26)31(29,30)19-12-14-27(15-13-19)21(28)24-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,24,28).
What are the key properties of N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide?
N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide is sourced from PubChem (CID 90592379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).