(1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone

C21H26ClN3O3S2 — CID 55986696

IUPAC(1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CCCN(Cc2ccccc2)C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C21H26ClN3O3S2/c22-19-8-9-20(29-19)30(27,28)25-13-11-24(12-14-25)21(26)18-7-4-10-23(16-18)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,18H,4,7,10-16H2
InChIKeyYQFHJNANDQVICF-UHFFFAOYSA-N
MW468.04 g/mol
LogP3.15
Rot. Bonds5

About (1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone

(1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 55986696) has the molecular formula C21H26ClN3O3S2 and a molecular weight of 468.04 g/mol. Its IUPAC name is (1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID55986696
Molecular FormulaC21H26ClN3O3S2
Molecular Weight468.04 g/mol
Exact Mass467.11
IUPAC Name(1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CCCN(Cc2ccccc2)C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C21H26ClN3O3S2/c22-19-8-9-20(29-19)30(27,28)25-13-11-24(12-14-25)21(26)18-7-4-10-23(16-18)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,18H,4,7,10-16H2
InChIKeyYQFHJNANDQVICF-UHFFFAOYSA-N
XLogP3.15
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.04
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-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

[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797097
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone
CID 43926332
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31137350
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119685119
4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
CID 2943089

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone (CID 55986696) is (1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone is O=C(C1CCCN(Cc2ccccc2)C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of (1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is YQFHJNANDQVICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S2/c22-19-8-9-20(29-19)30(27,28)25-13-11-24(12-14-25)21(26)18-7-4-10-23(16-18)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,18H,4,7,10-16H2.
What are the key properties of (1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
(1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 468.04 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 55986696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).