[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone

C15H14ClNO3S — CID 74237771

IUPAC[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)C1CCCN(C(=O)c2ccc(Cl)o2)C1
InChIInChI=1S/C15H14ClNO3S/c16-13-6-5-11(20-13)15(19)17-7-1-3-10(9-17)14(18)12-4-2-8-21-12/h2,4-6,8,10H,1,3,7,9H2
InChIKeyHMLYMTCCBWWCAR-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.73
Rot. Bonds3

About [1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone

[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone (PubChem CID 74237771) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is [1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone
PubChem CID74237771
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)C1CCCN(C(=O)c2ccc(Cl)o2)C1
InChIInChI=1S/C15H14ClNO3S/c16-13-6-5-11(20-13)15(19)17-7-1-3-10(9-17)14(18)12-4-2-8-21-12/h2,4-6,8,10H,1,3,7,9H2
InChIKeyHMLYMTCCBWWCAR-UHFFFAOYSA-N
XLogP3.73
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-(5-chlorofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919544
(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
CID 106689868
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30545695
[(3S)-1-[1-(2-piperidin-1-ylethyl)triazole-4-carbonyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 25386522
(5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492575
N-[2-(4-chlorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946563
(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 113226423
[(3R)-1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 26393027
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
(4-bromo-2-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55558967

Frequently Asked Questions

What is the IUPAC name of [1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone (CID 74237771) is [1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)C1CCCN(C(=O)c2ccc(Cl)o2)C1.
What is the InChIKey of [1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone?
The InChIKey is HMLYMTCCBWWCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-13-6-5-11(20-13)15(19)17-7-1-3-10(9-17)14(18)12-4-2-8-21-12/h2,4-6,8,10H,1,3,7,9H2.
What are the key properties of [1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone?
[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 323.80 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 74237771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).