3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide

C12H17ClN2OS — CID 80641610

IUPAC3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
SMILESCCN(C(=O)c1sccc1Cl)C1CCCNC1
InChIInChI=1S/C12H17ClN2OS/c1-2-15(9-4-3-6-14-8-9)12(16)11-10(13)5-7-17-11/h5,7,9,14H,2-4,6,8H2,1H3
InChIKeyGJHGQISGUDXVRQ-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.62
Rot. Bonds3

About 3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide

3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide (PubChem CID 80641610) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
PubChem CID80641610
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
SMILESCCN(C(=O)c1sccc1Cl)C1CCCNC1
InChIInChI=1S/C12H17ClN2OS/c1-2-15(9-4-3-6-14-8-9)12(16)11-10(13)5-7-17-11/h5,7,9,14H,2-4,6,8H2,1H3
InChIKeyGJHGQISGUDXVRQ-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
3-methyl-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
CID 63636574
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
CID 63637963
N-ethyl-2-methyl-N-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 65198740
3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide
CID 102872856
3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106629031
2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 107990350
N-ethyl-N-piperidin-3-yl-4-propylthiadiazole-5-carboxamide
CID 65210392
3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide
CID 80641189
4-ethoxy-N-ethyl-N-piperidin-3-ylbenzamide
CID 60807243
N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide
CID 104671440

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide (CID 80641610) is 3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide is CCN(C(=O)c1sccc1Cl)C1CCCNC1.
What is the InChIKey of 3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide?
The InChIKey is GJHGQISGUDXVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-2-15(9-4-3-6-14-8-9)12(16)11-10(13)5-7-17-11/h5,7,9,14H,2-4,6,8H2,1H3.
What are the key properties of 3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide?
3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide has a molecular weight of 272.80 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 80641610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).