1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one

C13H16ClNO2S — CID 79549466

IUPAC1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H16ClNO2S/c1-9(16)8-10-4-2-3-7-15(10)13(17)11-5-6-12(14)18-11/h5-6,10H,2-4,7-8H2,1H3
InChIKeySQJUZPSVOJZYSA-UHFFFAOYSA-N
MW285.80 g/mol
LogP3.38
Rot. Bonds3

About 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one

1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one (PubChem CID 79549466) has the molecular formula C13H16ClNO2S and a molecular weight of 285.80 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one
PubChem CID79549466
Molecular FormulaC13H16ClNO2S
Molecular Weight285.80 g/mol
Exact Mass285.06
IUPAC Name1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H16ClNO2S/c1-9(16)8-10-4-2-3-7-15(10)13(17)11-5-6-12(14)18-11/h5-6,10H,2-4,7-8H2,1H3
InChIKeySQJUZPSVOJZYSA-UHFFFAOYSA-N
XLogP3.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 63395374
1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540609
1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549533
1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 106861332
1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 79549622
1-[1-(5-chloro-2-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79540783
1-[1-(2,6-dihydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107688771
1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one
CID 79541789
1-[1-(4-ethylbenzoyl)azepan-2-yl]propan-2-one
CID 79540812
1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549380
1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one
CID 79549037
1-[1-(4-chloro-2,5-difluorobenzoyl)piperidin-2-yl]propan-2-one
CID 82772459

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one (CID 79549466) is 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one?
The InChIKey is SQJUZPSVOJZYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2S/c1-9(16)8-10-4-2-3-7-15(10)13(17)11-5-6-12(14)18-11/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one?
1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one has a molecular weight of 285.80 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79549466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).