(3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide

C15H18N2O2S — CID 172908557

IUPAC(3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)[C@H]2CSc3ccccc32)C1
InChIInChI=1S/C15H18N2O2S/c16-14(18)10-4-3-7-17(8-10)15(19)12-9-20-13-6-2-1-5-11(12)13/h1-2,5-6,10,12H,3-4,7-9H2,(H2,16,18)/t10-,12-/m0/s1
InChIKeyBHNNBJPWVZNUPG-JQWIXIFHSA-N
MW290.39 g/mol
LogP1.60
Rot. Bonds2

About (3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide

(3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide (PubChem CID 172908557) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide
PubChem CID172908557
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)[C@H]2CSc3ccccc32)C1
InChIInChI=1S/C15H18N2O2S/c16-14(18)10-4-3-7-17(8-10)15(19)12-9-20-13-6-2-1-5-11(12)13/h1-2,5-6,10,12H,3-4,7-9H2,(H2,16,18)/t10-,12-/m0/s1
InChIKeyBHNNBJPWVZNUPG-JQWIXIFHSA-N
XLogP1.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-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 (3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide (CID 172908557) is (3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)[C@H]2CSc3ccccc32)C1.
What is the InChIKey of (3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is BHNNBJPWVZNUPG-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H18N2O2S/c16-14(18)10-4-3-7-17(8-10)15(19)12-9-20-13-6-2-1-5-11(12)13/h1-2,5-6,10,12H,3-4,7-9H2,(H2,16,18)/t10-,12-/m0/s1.
What are the key properties of (3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide?
(3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 172908557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).