1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone

C25H31N3O4S — CID 134035839

IUPAC1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)n3cccc/c3=N\C3CCCCC3)CC2)cc1
InChIInChI=1S/C25H31N3O4S/c1-19(29)20-10-12-23(13-11-20)33(31,32)27-17-14-21(15-18-27)25(30)28-16-6-5-9-24(28)26-22-7-3-2-4-8-22/h5-6,9-13,16,21-22H,2-4,7-8,14-15,17-18H2,1H3/b26-24+
InChIKeyLYNZZTNAUQXNKA-SHHOIMCASA-N
MW469.61 g/mol
LogP3.67
Rot. Bonds5

About 1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone

1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 134035839) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID134035839
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)n3cccc/c3=N\C3CCCCC3)CC2)cc1
InChIInChI=1S/C25H31N3O4S/c1-19(29)20-10-12-23(13-11-20)33(31,32)27-17-14-21(15-18-27)25(30)28-16-6-5-9-24(28)26-22-7-3-2-4-8-22/h5-6,9-13,16,21-22H,2-4,7-8,14-15,17-18H2,1H3/b26-24+
InChIKeyLYNZZTNAUQXNKA-SHHOIMCASA-N
XLogP3.67
TPSA88.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone 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

1-[3-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 134035837
[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 16609667
[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 16611964
1-[4-(3-phenylazepan-1-yl)sulfonylphenyl]ethanone
CID 90608668
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 17498465
1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 55888653
1-[4-(3-phenylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 51055236
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
1-[4-[(3R)-3-methylsulfanylpiperidin-1-yl]sulfonylphenyl]ethanone
CID 124856123
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone (CID 134035839) is 1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)n3cccc/c3=N\C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is LYNZZTNAUQXNKA-SHHOIMCASA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-19(29)20-10-12-23(13-11-20)33(31,32)27-17-14-21(15-18-27)25(30)28-16-6-5-9-24(28)26-22-7-3-2-4-8-22/h5-6,9-13,16,21-22H,2-4,7-8,14-15,17-18H2,1H3/b26-24+.
What are the key properties of 1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone?
1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 469.61 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 134035839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).