2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline

C25H29N3O2S — CID 46283416

IUPAC2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline
SMILESO=S(=O)(c1ccc2nc(N3CCC(Cc4ccccc4)CC3)ccc2c1)N1CCCC1
InChIInChI=1S/C25H29N3O2S/c29-31(30,28-14-4-5-15-28)23-9-10-24-22(19-23)8-11-25(26-24)27-16-12-21(13-17-27)18-20-6-2-1-3-7-20/h1-3,6-11,19,21H,4-5,12-18H2
InChIKeyIMZPELKNYYMNIL-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.48
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline

2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline (PubChem CID 46283416) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline
PubChem CID46283416
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline
SMILESO=S(=O)(c1ccc2nc(N3CCC(Cc4ccccc4)CC3)ccc2c1)N1CCCC1
InChIInChI=1S/C25H29N3O2S/c29-31(30,28-14-4-5-15-28)23-9-10-24-22(19-23)8-11-25(26-24)27-16-12-21(13-17-27)18-20-6-2-1-3-7-20/h1-3,6-11,19,21H,4-5,12-18H2
InChIKeyIMZPELKNYYMNIL-UHFFFAOYSA-N
XLogP4.48
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline 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

2-(4-benzylpiperidin-1-yl)-6-bromoquinoline
CID 25139392
4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine
CID 50806743
(3R)-N-(2-phenylethyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92893353
(3S)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid
CID 92863878
(3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92893329
N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50769456
piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone
CID 50769435
(3S)-N-[(2-chlorophenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92867049
(3S)-N-(pyridin-2-ylmethyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888283
2-(azepan-1-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
CID 46283450
2-(azepan-1-yl)-6-[(2S)-2-methylpiperidin-1-yl]sulfonylquinoline
CID 92864402
6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline
CID 92887045

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline (CID 46283416) is 2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline is O=S(=O)(c1ccc2nc(N3CCC(Cc4ccccc4)CC3)ccc2c1)N1CCCC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline?
The InChIKey is IMZPELKNYYMNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c29-31(30,28-14-4-5-15-28)23-9-10-24-22(19-23)8-11-25(26-24)27-16-12-21(13-17-27)18-20-6-2-1-3-7-20/h1-3,6-11,19,21H,4-5,12-18H2.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline?
2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline has a molecular weight of 435.59 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline is sourced from PubChem (CID 46283416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).