(3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide

C16H20N2O2S — CID 172908619

IUPAC(3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Cc2cccc3c2SCC3)C1
InChIInChI=1S/C16H20N2O2S/c17-16(20)13-5-2-7-18(10-13)14(19)9-12-4-1-3-11-6-8-21-15(11)12/h1,3-4,13H,2,5-10H2,(H2,17,20)/t13-/m0/s1
InChIKeyMYWVCJKERPOZPN-ZDUSSCGKSA-N
MW304.41 g/mol
LogP1.60
Rot. Bonds3

About (3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide

(3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide (PubChem CID 172908619) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is (3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide
PubChem CID172908619
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name(3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Cc2cccc3c2SCC3)C1
InChIInChI=1S/C16H20N2O2S/c17-16(20)13-5-2-7-18(10-13)14(19)9-12-4-1-3-11-6-8-21-15(11)12/h1,3-4,13H,2,5-10H2,(H2,17,20)/t13-/m0/s1
InChIKeyMYWVCJKERPOZPN-ZDUSSCGKSA-N
XLogP1.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]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-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide (CID 172908619) is (3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)Cc2cccc3c2SCC3)C1.
What is the InChIKey of (3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is MYWVCJKERPOZPN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O2S/c17-16(20)13-5-2-7-18(10-13)14(19)9-12-4-1-3-11-6-8-21-15(11)12/h1,3-4,13H,2,5-10H2,(H2,17,20)/t13-/m0/s1.
What are the key properties of (3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 172908619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).