1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C21H21N3O2S — CID 55601176

IUPAC1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C21H21N3O2S/c25-20(23-14-15-4-3-9-22-13-15)16-7-10-24(11-8-16)21(26)19-12-17-5-1-2-6-18(17)27-19/h1-6,9,12-13,16H,7-8,10-11,14H2,(H,23,25)
InChIKeyKMJWUILBHNKUSX-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.46
Rot. Bonds4

About 1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 55601176) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID55601176
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C21H21N3O2S/c25-20(23-14-15-4-3-9-22-13-15)16-7-10-24(11-8-16)21(26)19-12-17-5-1-2-6-18(17)27-19/h1-6,9,12-13,16H,7-8,10-11,14H2,(H,23,25)
InChIKeyKMJWUILBHNKUSX-UHFFFAOYSA-N
XLogP3.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-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

4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide
CID 112821228
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-benzyl-1-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)piperidine-4-carboxamide
CID 41305146
N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
CID 133371811
1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 38497854

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 55601176) is 1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3s2)CC1.
What is the InChIKey of 1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KMJWUILBHNKUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-20(23-14-15-4-3-9-22-13-15)16-7-10-24(11-8-16)21(26)19-12-17-5-1-2-6-18(17)27-19/h1-6,9,12-13,16H,7-8,10-11,14H2,(H,23,25).
What are the key properties of 1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55601176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).