N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C22H29N3O3S2 — CID 2161690

IUPACN-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C22H29N3O3S2/c26-22(19-8-14-25(15-9-19)30(27,28)21-7-4-16-29-21)23-20-10-12-24(13-11-20)17-18-5-2-1-3-6-18/h1-7,16,19-20H,8-15,17H2,(H,23,26)
InChIKeyZFRWGAOGRGYXBT-UHFFFAOYSA-N
MW447.63 g/mol
LogP2.93
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2161690) has the molecular formula C22H29N3O3S2 and a molecular weight of 447.63 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2161690
Molecular FormulaC22H29N3O3S2
Molecular Weight447.63 g/mol
Exact Mass447.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C22H29N3O3S2/c26-22(19-8-14-25(15-9-19)30(27,28)21-7-4-16-29-21)23-20-10-12-24(13-11-20)17-18-5-2-1-3-6-18/h1-7,16,19-20H,8-15,17H2,(H,23,26)
InChIKeyZFRWGAOGRGYXBT-UHFFFAOYSA-N
XLogP2.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-4-yl)-1-thiophen-2-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

Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 53031675
N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24633039
2-phenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108560111
N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27673196
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 36527366
ethyl 4-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate
CID 3244590
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55857840
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27333455

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2161690) is N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZFRWGAOGRGYXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S2/c26-22(19-8-14-25(15-9-19)30(27,28)21-7-4-16-29-21)23-20-10-12-24(13-11-20)17-18-5-2-1-3-6-18/h1-7,16,19-20H,8-15,17H2,(H,23,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 447.63 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2161690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).