3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide

C13H19ClN2OS — CID 80642602

IUPAC3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1sccc1Cl)C1CCNCC1
InChIInChI=1S/C13H19ClN2OS/c1-2-8-16(10-3-6-15-7-4-10)13(17)12-11(14)5-9-18-12/h5,9-10,15H,2-4,6-8H2,1H3
InChIKeyQSWWLKUZBCRAQV-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.01
Rot. Bonds4

About 3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide

3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide (PubChem CID 80642602) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
PubChem CID80642602
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1sccc1Cl)C1CCNCC1
InChIInChI=1S/C13H19ClN2OS/c1-2-8-16(10-3-6-15-7-4-10)13(17)12-11(14)5-9-18-12/h5,9-10,15H,2-4,6-8H2,1H3
InChIKeyQSWWLKUZBCRAQV-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-piperidin-4-yl-N-propylthiophene-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

Related Compounds

3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide
CID 80641189
3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide
CID 102872856
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 81119139
3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
CID 80641610
2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride
CID 119824416
4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119823220
3-methyl-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
CID 63636574
2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825165
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
4-methyl-N-piperidin-4-yl-N,2-dipropyl-1,3-thiazole-5-carboxamide
CID 119824556
4-acetyl-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119823292

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide (CID 80642602) is 3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1sccc1Cl)C1CCNCC1.
What is the InChIKey of 3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide?
The InChIKey is QSWWLKUZBCRAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-2-8-16(10-3-6-15-7-4-10)13(17)12-11(14)5-9-18-12/h5,9-10,15H,2-4,6-8H2,1H3.
What are the key properties of 3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide?
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide has a molecular weight of 286.83 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 80642602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).