1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone

C19H27N3O4S — CID 2390782

IUPAC1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C19H27N3O4S/c1-15-6-7-17(19(24)21-12-10-20(11-13-21)16(2)23)14-18(15)27(25,26)22-8-4-3-5-9-22/h6-7,14H,3-5,8-13H2,1-2H3
InChIKeyYMPZLNNSWVTPES-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.47
Rot. Bonds3

About 1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone

1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 2390782) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone
PubChem CID2390782
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C19H27N3O4S/c1-15-6-7-17(19(24)21-12-10-20(11-13-21)16(2)23)14-18(15)27(25,26)22-8-4-3-5-9-22/h6-7,14H,3-5,8-13H2,1-2H3
InChIKeyYMPZLNNSWVTPES-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone (CID 2390782) is 1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of 1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is YMPZLNNSWVTPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-15-6-7-17(19(24)21-12-10-20(11-13-21)16(2)23)14-18(15)27(25,26)22-8-4-3-5-9-22/h6-7,14H,3-5,8-13H2,1-2H3.
What are the key properties of 1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone?
1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 393.51 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2390782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).