1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide

C26H31N3O5S — CID 20869012

IUPAC1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)NCC4(c5ccccc5)CCCC4)C3)ccc21
InChIInChI=1S/C26H31N3O5S/c1-28-22-12-11-21(16-23(22)34-25(28)31)35(32,33)29-15-7-8-19(17-29)24(30)27-18-26(13-5-6-14-26)20-9-3-2-4-10-20/h2-4,9-12,16,19H,5-8,13-15,17-18H2,1H3,(H,27,30)
InChIKeyWXABNVDVWBPHMP-UHFFFAOYSA-N
MW497.62 g/mol
LogP3.16
Rot. Bonds6

About 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide

1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide (PubChem CID 20869012) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide
PubChem CID20869012
Molecular FormulaC26H31N3O5S
Molecular Weight497.62 g/mol
Exact Mass497.20
IUPAC Name1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)NCC4(c5ccccc5)CCCC4)C3)ccc21
InChIInChI=1S/C26H31N3O5S/c1-28-22-12-11-21(16-23(22)34-25(28)31)35(32,33)29-15-7-8-19(17-29)24(30)27-18-26(13-5-6-14-26)20-9-3-2-4-10-20/h2-4,9-12,16,19H,5-8,13-15,17-18H2,1H3,(H,27,30)
InChIKeyWXABNVDVWBPHMP-UHFFFAOYSA-N
XLogP3.16
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]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

(3S)-N-(1-benzylpiperidin-4-yl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 92666555
(3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 100663435
1-(4-methylphenyl)sulfonyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 133168162
N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 126458308
N-(2,3-dimethylcyclohexyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20868978
(3S)-1-ethylsulfonyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 98004889
(3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 92666593
3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 40503494
6-[(3S)-3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 92666569
1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(1-methyl-4-oxoimidazolidin-2-ylidene)piperidine-3-carboxamide
CID 135522124
1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 46374695
N-(3-chloro-4-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20868981

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide (CID 20869012) is 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide is Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)NCC4(c5ccccc5)CCCC4)C3)ccc21.
What is the InChIKey of 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide?
The InChIKey is WXABNVDVWBPHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5S/c1-28-22-12-11-21(16-23(22)34-25(28)31)35(32,33)29-15-7-8-19(17-29)24(30)27-18-26(13-5-6-14-26)20-9-3-2-4-10-20/h2-4,9-12,16,19H,5-8,13-15,17-18H2,1H3,(H,27,30).
What are the key properties of 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide?
1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 20869012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).