1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide

C12H14Cl2N2O2S — CID 47415559

IUPAC1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H14Cl2N2O2S/c1-6-2-3-7(11(15)17)5-16(6)12(18)8-4-9(13)19-10(8)14/h4,6-7H,2-3,5H2,1H3,(H2,15,17)
InChIKeyVTCGNQUHWIPANR-UHFFFAOYSA-N
MW321.23 g/mol
LogP2.78
Rot. Bonds2

About 1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide

1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 47415559) has the molecular formula C12H14Cl2N2O2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID47415559
Molecular FormulaC12H14Cl2N2O2S
Molecular Weight321.23 g/mol
Exact Mass320.02
IUPAC Name1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H14Cl2N2O2S/c1-6-2-3-7(11(15)17)5-16(6)12(18)8-4-9(13)19-10(8)14/h4,6-7H,2-3,5H2,1H3,(H2,15,17)
InChIKeyVTCGNQUHWIPANR-UHFFFAOYSA-N
XLogP2.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-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-(2,4-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892090
1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892089
(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103821494
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107965992
1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 79777604
6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide
CID 107026180
(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 93380872
(4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103807093
(3R,6R)-1-[(Z)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 100841603
(3R,6S)-6-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide
CID 95138846
(3R,6R)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95146623
(3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95146622

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide (CID 47415559) is 1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is VTCGNQUHWIPANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2S/c1-6-2-3-7(11(15)17)5-16(6)12(18)8-4-9(13)19-10(8)14/h4,6-7H,2-3,5H2,1H3,(H2,15,17).
What are the key properties of 1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide?
1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 321.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 47415559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).