[4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone

C24H24N2O3S — CID 31188365

IUPAC[4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)sc2C)cc1
InChIInChI=1S/C24H24N2O3S/c1-17-21(18-8-10-20(29-2)11-9-18)16-22(30-17)24(28)26-14-12-25(13-15-26)23(27)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3
InChIKeyJZDCJYNKHMDOBD-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.33
Rot. Bonds4

About [4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone

[4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone (PubChem CID 31188365) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is [4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone
PubChem CID31188365
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name[4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)sc2C)cc1
InChIInChI=1S/C24H24N2O3S/c1-17-21(18-8-10-20(29-2)11-9-18)16-22(30-17)24(28)26-14-12-25(13-15-26)23(27)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3
InChIKeyJZDCJYNKHMDOBD-UHFFFAOYSA-N
XLogP4.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573949
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone;hydrochloride
CID 120750309
(2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 78774228
1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78864219
[1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 78869007
[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 119466117
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 78866460
2-(4-methoxyphenoxy)-1-[4-(4-phenylbenzoyl)piperazin-1-yl]ethanone
CID 2877986
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone
CID 119403968
[4-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46491157

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone (CID 31188365) is [4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone is COc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)sc2C)cc1.
What is the InChIKey of [4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is JZDCJYNKHMDOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-17-21(18-8-10-20(29-2)11-9-18)16-22(30-17)24(28)26-14-12-25(13-15-26)23(27)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3.
What are the key properties of [4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone?
[4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 420.53 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 31188365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).