1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone

C19H27N3O4S — CID 30453081

IUPAC1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C19H27N3O4S/c1-15-7-9-21(10-8-15)19(24)17-3-5-18(6-4-17)27(25,26)22-13-11-20(12-14-22)16(2)23/h3-6,15H,7-14H2,1-2H3
InChIKeyGBFVPCKVHSTLPH-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.41
Rot. Bonds3

About 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone

1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone (PubChem CID 30453081) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
PubChem CID30453081
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C19H27N3O4S/c1-15-7-9-21(10-8-15)19(24)17-3-5-18(6-4-17)27(25,26)22-13-11-20(12-14-22)16(2)23/h3-6,15H,7-14H2,1-2H3
InChIKeyGBFVPCKVHSTLPH-UHFFFAOYSA-N
XLogP1.41
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]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

[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 24542893
1-[4-[4-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 109060483
1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile
CID 49064132
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methanone
CID 92673416
[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 43920450
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 52724326
(3-aminopiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119377173
[4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 78768168
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
(4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90585194
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone (CID 30453081) is 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone?
The InChIKey is GBFVPCKVHSTLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-15-7-9-21(10-8-15)19(24)17-3-5-18(6-4-17)27(25,26)22-13-11-20(12-14-22)16(2)23/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone?
1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone has a molecular weight of 393.51 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 30453081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).