1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone

C24H30N2O3 — CID 108535900

IUPAC1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
SMILESCCCc1ccc(OCC(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-5-20-7-10-22(11-8-20)29-17-23(27)25-12-14-26(15-13-25)24(28)21-9-6-18(2)19(3)16-21/h6-11,16H,4-5,12-15,17H2,1-3H3
InChIKeyUKYPQUVQLKQCLW-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.62
Rot. Bonds6

About 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone

1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone (PubChem CID 108535900) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
PubChem CID108535900
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
SMILESCCCc1ccc(OCC(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-5-20-7-10-22(11-8-20)29-17-23(27)25-12-14-26(15-13-25)24(28)21-9-6-18(2)19(3)16-21/h6-11,16H,4-5,12-15,17H2,1-3H3
InChIKeyUKYPQUVQLKQCLW-UHFFFAOYSA-N
XLogP3.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535804
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108533580
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535113
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-(4-propylphenoxy)ethanone
CID 108544009
1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535906
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108534117
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 108537013
methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate
CID 108568845
2-(3,4-dimethylphenoxy)-1-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 108535822
1-[4-(3,4-dimethylbenzoyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 60619014
2-(3,4-dimethylphenoxy)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 32522055

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone?
The IUPAC name of 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone (CID 108535900) is 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone?
The canonical SMILES for 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone is CCCc1ccc(OCC(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone?
The InChIKey is UKYPQUVQLKQCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-5-20-7-10-22(11-8-20)29-17-23(27)25-12-14-26(15-13-25)24(28)21-9-6-18(2)19(3)16-21/h6-11,16H,4-5,12-15,17H2,1-3H3.
What are the key properties of 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone?
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone has a molecular weight of 394.52 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone is sourced from PubChem (CID 108535900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).