[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone

C18H19NO3S — CID 110394349

IUPAC[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H19NO3S/c1-22-15-6-4-14(5-7-15)18(21)19-10-8-13(9-11-19)17(20)16-3-2-12-23-16/h2-7,12-13H,8-11H2,1H3
InChIKeyYPDZXLRBWHYUJO-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.49
Rot. Bonds4

About [1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone

[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone (PubChem CID 110394349) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is [1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
PubChem CID110394349
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H19NO3S/c1-22-15-6-4-14(5-7-15)18(21)19-10-8-13(9-11-19)17(20)16-3-2-12-23-16/h2-7,12-13H,8-11H2,1H3
InChIKeyYPDZXLRBWHYUJO-UHFFFAOYSA-N
XLogP3.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
[1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394347
N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55501604
N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93199190
(4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25473895
[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473760
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
(4-methoxyphenyl)-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]methanone
CID 167817734
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 90591694
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone (CID 110394349) is [1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone is COc1ccc(C(=O)N2CCC(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of [1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is YPDZXLRBWHYUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-22-15-6-4-14(5-7-15)18(21)19-10-8-13(9-11-19)17(20)16-3-2-12-23-16/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone?
[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 329.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110394349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).