(4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone

C20H31N3O3S — CID 3242163

IUPAC(4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
SMILESCCCS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H31N3O3S/c1-2-16-27(25,26)23-10-8-19(9-11-23)20(24)22-14-12-21(13-15-22)17-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3
InChIKeyATSBELYWKBUZAC-UHFFFAOYSA-N
MW393.55 g/mol
LogP1.78
Rot. Bonds6

About (4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone

(4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone (PubChem CID 3242163) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
PubChem CID3242163
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name(4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
SMILESCCCS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H31N3O3S/c1-2-16-27(25,26)23-10-8-19(9-11-23)20(24)22-14-12-21(13-15-22)17-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3
InChIKeyATSBELYWKBUZAC-UHFFFAOYSA-N
XLogP1.78
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone (CID 3242163) is (4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone is CCCS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone?
The InChIKey is ATSBELYWKBUZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-2-16-27(25,26)23-10-8-19(9-11-23)20(24)22-14-12-21(13-15-22)17-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone?
(4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone has a molecular weight of 393.55 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 3242163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).