4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one

C14H18N2O3 — CID 16863757

IUPAC4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCOc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C14H18N2O3/c1-14(2)13(18)15-8-9-16(14)12(17)10-4-6-11(19-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,18)
InChIKeyRJYGWPIFVNBJRA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.05
Rot. Bonds2

About 4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one

4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one (PubChem CID 16863757) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
PubChem CID16863757
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCOc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C14H18N2O3/c1-14(2)13(18)15-8-9-16(14)12(17)10-4-6-11(19-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,18)
InChIKeyRJYGWPIFVNBJRA-UHFFFAOYSA-N
XLogP1.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
CID 16863828
4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenecarbothioamide
CID 63606089
4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362140
4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863923
4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
CID 63606700
4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 81005031
4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 63596087
3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
CID 16863762
4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63606471
4-(4-benzylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863809
1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one
CID 115269266
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362058

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one (CID 16863757) is 4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one is COc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is RJYGWPIFVNBJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2)13(18)15-8-9-16(14)12(17)10-4-6-11(19-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,18).
What are the key properties of 4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one?
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 16863757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).