3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one

C16H22N2O3 — CID 16863828

IUPAC3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
SMILESCC(C)Oc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C16H22N2O3/c1-11(2)21-13-7-5-12(6-8-13)14(19)18-10-9-17-15(20)16(18,3)4/h5-8,11H,9-10H2,1-4H3,(H,17,20)
InChIKeyRLYACZRVZLHFIR-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.82
Rot. Bonds3

About 3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one

3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one (PubChem CID 16863828) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
PubChem CID16863828
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
SMILESCC(C)Oc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C16H22N2O3/c1-11(2)21-13-7-5-12(6-8-13)14(19)18-10-9-17-15(20)16(18,3)4/h5-8,11H,9-10H2,1-4H3,(H,17,20)
InChIKeyRLYACZRVZLHFIR-UHFFFAOYSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenecarbothioamide
CID 63606089
4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
CID 63606700
3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one
CID 63362540
4-(4-benzylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863809
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362058
4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63606357
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-(3,5-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 55218363
4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863923

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one (CID 16863828) is 3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one is CC(C)Oc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one?
The InChIKey is RLYACZRVZLHFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)21-13-7-5-12(6-8-13)14(19)18-10-9-17-15(20)16(18,3)4/h5-8,11H,9-10H2,1-4H3,(H,17,20).
What are the key properties of 3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one?
3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one is sourced from PubChem (CID 16863828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).