1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide

C13H17ClN2O2S — CID 62037332

IUPAC1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H17ClN2O2S/c1-15-13(18)9-4-6-16(7-5-9)8-10(17)11-2-3-12(14)19-11/h2-3,9H,4-8H2,1H3,(H,15,18)
InChIKeyWFJVYMVZUKMTFO-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.04
Rot. Bonds4

About 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide

1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 62037332) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
PubChem CID62037332
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H17ClN2O2S/c1-15-13(18)9-4-6-16(7-5-9)8-10(17)11-2-3-12(14)19-11/h2-3,9H,4-8H2,1H3,(H,15,18)
InChIKeyWFJVYMVZUKMTFO-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-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

1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 62036555
1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 62205766
1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone
CID 62369289
1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79175254
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 43797238
1-(5-chlorothiophen-2-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 43228349
1-(5-chlorothiophen-2-yl)-3-cyclopropylpropane-1,3-dione
CID 63320072
1-(5-chlorothiophen-2-yl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanone
CID 107456966
1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 4014587
1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690747
1-(5-chlorothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 43228277
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide (CID 62037332) is 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(CC(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is WFJVYMVZUKMTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-15-13(18)9-4-6-16(7-5-9)8-10(17)11-2-3-12(14)19-11/h2-3,9H,4-8H2,1H3,(H,15,18).
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 300.81 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 62037332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).