(2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C21H25N3OS — CID 95895548

IUPAC(2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCN1CCC(N(Cc2ccncc2)C(=O)[C@H]2Cc3ccccc3S2)CC1
InChIInChI=1S/C21H25N3OS/c1-23-12-8-18(9-13-23)24(15-16-6-10-22-11-7-16)21(25)20-14-17-4-2-3-5-19(17)26-20/h2-7,10-11,18,20H,8-9,12-15H2,1H3/t20-/m1/s1
InChIKeyFQQUPJZRGDMHNE-HXUWFJFHSA-N
MW367.52 g/mol
LogP3.22
Rot. Bonds4

About (2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

(2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 95895548) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is (2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID95895548
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name(2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCN1CCC(N(Cc2ccncc2)C(=O)[C@H]2Cc3ccccc3S2)CC1
InChIInChI=1S/C21H25N3OS/c1-23-12-8-18(9-13-23)24(15-16-6-10-22-11-7-16)21(25)20-14-17-4-2-3-5-19(17)26-20/h2-7,10-11,18,20H,8-9,12-15H2,1H3/t20-/m1/s1
InChIKeyFQQUPJZRGDMHNE-HXUWFJFHSA-N
XLogP3.22
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-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 (2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 95895548) is (2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is CN1CCC(N(Cc2ccncc2)C(=O)[C@H]2Cc3ccccc3S2)CC1.
What is the InChIKey of (2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is FQQUPJZRGDMHNE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-23-12-8-18(9-13-23)24(15-16-6-10-22-11-7-16)21(25)20-14-17-4-2-3-5-19(17)26-20/h2-7,10-11,18,20H,8-9,12-15H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 95895548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).