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

C16H22N2O3 — CID 108537013

IUPAC1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C16H22N2O3/c1-12-4-5-14(10-13(12)2)16(20)18-8-6-17(7-9-18)15(19)11-21-3/h4-5,10H,6-9,11H2,1-3H3
InChIKeyLFINVBDQSNNNTA-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.23
Rot. Bonds3

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

1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 108537013) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone
PubChem CID108537013
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C16H22N2O3/c1-12-4-5-14(10-13(12)2)16(20)18-8-6-17(7-9-18)15(19)11-21-3/h4-5,10H,6-9,11H2,1-3H3
InChIKeyLFINVBDQSNNNTA-UHFFFAOYSA-N
XLogP1.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 103841681
2-methoxy-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108547620
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535900
2-(2,4-dichlorophenoxy)-1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethanone
CID 108536090
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776283
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365749
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 108535246
4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103762912
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 108544814
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866980
1-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 108547998

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone (CID 108537013) is 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(C(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is LFINVBDQSNNNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-4-5-14(10-13(12)2)16(20)18-8-6-17(7-9-18)15(19)11-21-3/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 290.36 g/mol, XLogP of 1.23, 3 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-methoxyethanone is sourced from PubChem (CID 108537013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).