(4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone

C20H30N2O4S — CID 134014788

IUPAC(4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(O)CC3)CC2)cc1
InChIInChI=1S/C20H30N2O4S/c1-15(2)16-3-5-19(6-4-16)27(25,26)22-13-7-17(8-14-22)20(24)21-11-9-18(23)10-12-21/h3-6,15,17-18,23H,7-14H2,1-2H3
InChIKeyWYNBAVBZVFNOSZ-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.19
Rot. Bonds4

About (4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone

(4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 134014788) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID134014788
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name(4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(O)CC3)CC2)cc1
InChIInChI=1S/C20H30N2O4S/c1-15(2)16-3-5-19(6-4-16)27(25,26)22-13-7-17(8-14-22)20(24)21-11-9-18(23)10-12-21/h3-6,15,17-18,23H,7-14H2,1-2H3
InChIKeyWYNBAVBZVFNOSZ-UHFFFAOYSA-N
XLogP2.19
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone 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

piperidin-4-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266637
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 119631416
(4-hydroxypiperidin-1-yl)-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanone
CID 134014817
[(1R,2S)-2-methylcyclopropyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344045
3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 17377415
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
1-(4-propan-2-ylphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 40628999
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol
CID 55177243
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
N-[1-(4-chlorophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55336180
N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 120507976

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone (CID 134014788) is (4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone is CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(O)CC3)CC2)cc1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is WYNBAVBZVFNOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-15(2)16-3-5-19(6-4-16)27(25,26)22-13-7-17(8-14-22)20(24)21-11-9-18(23)10-12-21/h3-6,15,17-18,23H,7-14H2,1-2H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone?
(4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 394.54 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 134014788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).