[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

C18H18BrNO3S — CID 25473760

IUPAC[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(Br)s3)CC2)cc1
InChIInChI=1S/C18H18BrNO3S/c1-23-14-4-2-12(3-5-14)17(21)13-8-10-20(11-9-13)18(22)15-6-7-16(19)24-15/h2-7,13H,8-11H2,1H3
InChIKeyYPPJVFQXVXTZER-UHFFFAOYSA-N
MW408.32 g/mol
LogP4.25
Rot. Bonds4

About [1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 25473760) has the molecular formula C18H18BrNO3S and a molecular weight of 408.32 g/mol. Its IUPAC name is [1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID25473760
Molecular FormulaC18H18BrNO3S
Molecular Weight408.32 g/mol
Exact Mass407.02
IUPAC Name[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(Br)s3)CC2)cc1
InChIInChI=1S/C18H18BrNO3S/c1-23-14-4-2-12(3-5-14)17(21)13-8-10-20(11-9-13)18(22)15-6-7-16(19)24-15/h2-7,13H,8-11H2,1H3
InChIKeyYPPJVFQXVXTZER-UHFFFAOYSA-N
XLogP4.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.32
LogP ≤ 54.25
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)-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]methanone
CID 167817734
N'-(5-bromothiophene-2-carbonyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carbohydrazide
CID 55719585
[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394349
(4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25473895
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475454
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 26662523

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 25473760) is [1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(Br)s3)CC2)cc1.
What is the InChIKey of [1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is YPPJVFQXVXTZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3S/c1-23-14-4-2-12(3-5-14)17(21)13-8-10-20(11-9-13)18(22)15-6-7-16(19)24-15/h2-7,13H,8-11H2,1H3.
What are the key properties of [1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 408.32 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 25473760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).