3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide

C12H17ClN2OS — CID 80641488

IUPAC3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCC1CCCNC1)c1sccc1Cl
InChIInChI=1S/C12H17ClN2OS/c13-10-4-7-17-11(10)12(16)15-6-3-9-2-1-5-14-8-9/h4,7,9,14H,1-3,5-6,8H2,(H,15,16)
InChIKeyYQXZUQPXCXOWRM-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.52
Rot. Bonds4

About 3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide

3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide (PubChem CID 80641488) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
PubChem CID80641488
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCC1CCCNC1)c1sccc1Cl
InChIInChI=1S/C12H17ClN2OS/c13-10-4-7-17-11(10)12(16)15-6-3-9-2-1-5-14-8-9/h4,7,9,14H,1-3,5-6,8H2,(H,15,16)
InChIKeyYQXZUQPXCXOWRM-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 86777491
3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 119555349
3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 126786471
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621
3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106629031
3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 119558468
4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119555064
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990344
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide (CID 80641488) is 3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide is O=C(NCCC1CCCNC1)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide?
The InChIKey is YQXZUQPXCXOWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c13-10-4-7-17-11(10)12(16)15-6-3-9-2-1-5-14-8-9/h4,7,9,14H,1-3,5-6,8H2,(H,15,16).
What are the key properties of 3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide?
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide has a molecular weight of 272.80 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 80641488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).