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

C17H18N2O3S — CID 717242

IUPAC(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H18N2O3S/c1-22-14-6-4-13(5-7-14)16(20)18-8-10-19(11-9-18)17(21)15-3-2-12-23-15/h2-7,12H,8-11H2,1H3
InChIKeyQAWBMWFOWOBGEA-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.35
Rot. Bonds3

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

(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 717242) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID717242
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H18N2O3S/c1-22-14-6-4-13(5-7-14)16(20)18-8-10-19(11-9-18)17(21)15-3-2-12-23-15/h2-7,12H,8-11H2,1H3
InChIKeyQAWBMWFOWOBGEA-UHFFFAOYSA-N
XLogP2.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.35
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)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 119065113
(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689026
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 90591694
(4-bromophenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108545062
N-[(1R)-1-(benzenesulfonyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 98173345
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
2-(4-methoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108549910
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (CID 717242) is (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is QAWBMWFOWOBGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-22-14-6-4-13(5-7-14)16(20)18-8-10-19(11-9-18)17(21)15-3-2-12-23-15/h2-7,12H,8-11H2,1H3.
What are the key properties of (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 330.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 717242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).