N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

C22H23N3O3S — CID 5309863

IUPACN-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C22H23N3O3S/c26-22(24-16-17-6-2-1-3-7-17)19-11-14-25(15-12-19)29(27,28)20-10-4-8-18-9-5-13-23-21(18)20/h1-10,13,19H,11-12,14-16H2,(H,24,26)
InChIKeyIFBPSMXLICFFIE-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.95
Rot. Bonds5

About N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (PubChem CID 5309863) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
PubChem CID5309863
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C22H23N3O3S/c26-22(24-16-17-6-2-1-3-7-17)19-11-14-25(15-12-19)29(27,28)20-10-4-8-18-9-5-13-23-21(18)20/h1-10,13,19H,11-12,14-16H2,(H,24,26)
InChIKeyIFBPSMXLICFFIE-UHFFFAOYSA-N
XLogP2.95
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide 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 N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (CID 5309863) is N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is IFBPSMXLICFFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-22(24-16-17-6-2-1-3-7-17)19-11-14-25(15-12-19)29(27,28)20-10-4-8-18-9-5-13-23-21(18)20/h1-10,13,19H,11-12,14-16H2,(H,24,26).
What are the key properties of N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5309863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).