(4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone

C18H18ClNO2S — CID 24791194

IUPAC(4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone
SMILESCc1cc(Cl)ccc1C(=O)C1CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C18H18ClNO2S/c1-12-9-15(19)4-5-16(12)17(21)13-3-2-7-20(10-13)18(22)14-6-8-23-11-14/h4-6,8-9,11,13H,2-3,7,10H2,1H3
InChIKeyZJKWMXUQBXATIL-UHFFFAOYSA-N
MW347.87 g/mol
LogP4.45
Rot. Bonds3

About (4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone

(4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone (PubChem CID 24791194) has the molecular formula C18H18ClNO2S and a molecular weight of 347.87 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone
PubChem CID24791194
Molecular FormulaC18H18ClNO2S
Molecular Weight347.87 g/mol
Exact Mass347.07
IUPAC Name(4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone
SMILESCc1cc(Cl)ccc1C(=O)C1CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C18H18ClNO2S/c1-12-9-15(19)4-5-16(12)17(21)13-3-2-7-20(10-13)18(22)14-6-8-23-11-14/h4-6,8-9,11,13H,2-3,7,10H2,1H3
InChIKeyZJKWMXUQBXATIL-UHFFFAOYSA-N
XLogP4.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone (CID 24791194) is (4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone is Cc1cc(Cl)ccc1C(=O)C1CCCN(C(=O)c2ccsc2)C1.
What is the InChIKey of (4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone?
The InChIKey is ZJKWMXUQBXATIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2S/c1-12-9-15(19)4-5-16(12)17(21)13-3-2-7-20(10-13)18(22)14-6-8-23-11-14/h4-6,8-9,11,13H,2-3,7,10H2,1H3.
What are the key properties of (4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone?
(4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone has a molecular weight of 347.87 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 24791194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).