N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide

C13H16ClN3OS — CID 118741510

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)NCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C13H16ClN3OS/c14-12-2-1-11(19-12)3-6-16-13(18)17-7-4-10(9-15)5-8-17/h1-2,10H,3-8H2,(H,16,18)
InChIKeyOOBAKHNLXKPLIT-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.89
Rot. Bonds3

About N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide (PubChem CID 118741510) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide
PubChem CID118741510
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)NCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C13H16ClN3OS/c14-12-2-1-11(19-12)3-6-16-13(18)17-7-4-10(9-15)5-8-17/h1-2,10H,3-8H2,(H,16,18)
InChIKeyOOBAKHNLXKPLIT-UHFFFAOYSA-N
XLogP2.89
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-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 N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide (CID 118741510) is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide is N#CC1CCN(C(=O)NCCc2ccc(Cl)s2)CC1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide?
The InChIKey is OOBAKHNLXKPLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c14-12-2-1-11(19-12)3-6-16-13(18)17-7-4-10(9-15)5-8-17/h1-2,10H,3-8H2,(H,16,18).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide has a molecular weight of 297.81 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide is sourced from PubChem (CID 118741510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).