[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone

C21H24N2O3 — CID 110365049

IUPAC[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C21H24N2O3/c1-15-7-8-18(13-16(15)2)21(25)23-11-9-22(10-12-23)20(24)17-5-4-6-19(14-17)26-3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyGAPWIGJTAMIFDO-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.91
Rot. Bonds3

About [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 110365049) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID110365049
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C21H24N2O3/c1-15-7-8-18(13-16(15)2)21(25)23-11-9-22(10-12-23)20(24)17-5-4-6-19(14-17)26-3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyGAPWIGJTAMIFDO-UHFFFAOYSA-N
XLogP2.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113075435
4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 38046638
1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110368800
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone
CID 108543910
(3-fluorophenyl)-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802324
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 110365049) is [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1.
What is the InChIKey of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is GAPWIGJTAMIFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-7-8-18(13-16(15)2)21(25)23-11-9-22(10-12-23)20(24)17-5-4-6-19(14-17)26-3/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 352.43 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 110365049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).