3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one

C16H22N2O5 — CID 16863762

IUPAC3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
SMILESCOc1cc(C(=O)N2CCNC(=O)C2(C)C)cc(OC)c1OC
InChIInChI=1S/C16H22N2O5/c1-16(2)15(20)17-6-7-18(16)14(19)10-8-11(21-3)13(23-5)12(9-10)22-4/h8-9H,6-7H2,1-5H3,(H,17,20)
InChIKeyWGMHZPXJLDKGIU-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.06
Rot. Bonds4

About 3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one

3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one (PubChem CID 16863762) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
PubChem CID16863762
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
SMILESCOc1cc(C(=O)N2CCNC(=O)C2(C)C)cc(OC)c1OC
InChIInChI=1S/C16H22N2O5/c1-16(2)15(20)17-6-7-18(16)14(19)10-8-11(21-3)13(23-5)12(9-10)22-4/h8-9H,6-7H2,1-5H3,(H,17,20)
InChIKeyWGMHZPXJLDKGIU-UHFFFAOYSA-N
XLogP1.06
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362140
4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 81005031
4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 63596087
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
4-(3,5-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 55218363
4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63608428
4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863923
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362058
1-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-5-one
CID 110727928
4-(3-amino-4,5-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63595395
4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenecarbothioamide
CID 63606089
4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362344

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one (CID 16863762) is 3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one is COc1cc(C(=O)N2CCNC(=O)C2(C)C)cc(OC)c1OC.
What is the InChIKey of 3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one?
The InChIKey is WGMHZPXJLDKGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-16(2)15(20)17-6-7-18(16)14(19)10-8-11(21-3)13(23-5)12(9-10)22-4/h8-9H,6-7H2,1-5H3,(H,17,20).
What are the key properties of 3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one?
3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one has a molecular weight of 322.36 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one is sourced from PubChem (CID 16863762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).