(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

C18H19NO3S — CID 25474112

IUPAC(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H19NO3S/c1-22-15-6-4-13(5-7-15)17(20)14-8-10-19(11-9-14)18(21)16-3-2-12-23-16/h2-7,12,14H,8-11H2,1H3
InChIKeyMSIXZJIJOFVRPY-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.49
Rot. Bonds4

About (4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 25474112) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
PubChem CID25474112
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H19NO3S/c1-22-15-6-4-13(5-7-15)17(20)14-8-10-19(11-9-14)18(21)16-3-2-12-23-16/h2-7,12,14H,8-11H2,1H3
InChIKeyMSIXZJIJOFVRPY-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

[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394349
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473760
(4-methoxyphenyl)-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]methanone
CID 167817734
(4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25473895
N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55501604
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 90591694
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
2-(4-methoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108549910
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
[1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394347
(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31826968

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (CID 25474112) is (4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is MSIXZJIJOFVRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-22-15-6-4-13(5-7-15)17(20)14-8-10-19(11-9-14)18(21)16-3-2-12-23-16/h2-7,12,14H,8-11H2,1H3.
What are the key properties of (4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone 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 (4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 25474112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).