4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one

C15H21N3O2 — CID 63606700

IUPAC4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
SMILESCN(C)c1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C15H21N3O2/c1-15(2)14(20)16-9-10-18(15)13(19)11-5-7-12(8-6-11)17(3)4/h5-8H,9-10H2,1-4H3,(H,16,20)
InChIKeyRUSBOICKLGXBKB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.10
Rot. Bonds2

About 4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one

4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63606700) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
PubChem CID63606700
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
SMILESCN(C)c1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C15H21N3O2/c1-15(2)14(20)16-9-10-18(15)13(19)11-5-7-12(8-6-11)17(3)4/h5-8H,9-10H2,1-4H3,(H,16,20)
InChIKeyRUSBOICKLGXBKB-UHFFFAOYSA-N
XLogP1.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenecarbothioamide
CID 63606089
4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one
CID 63362373
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
4-(4-benzylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863809
3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
CID 16863828
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362058
4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63606357
4-(3,5-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 55218363
3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one
CID 63362105
4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 63744029
N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 16863835
N,N-dibutyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenesulfonamide
CID 16863833

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one (CID 63606700) is 4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one is CN(C)c1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1.
What is the InChIKey of 4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is RUSBOICKLGXBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2)14(20)16-9-10-18(15)13(19)11-5-7-12(8-6-11)17(3)4/h5-8H,9-10H2,1-4H3,(H,16,20).
What are the key properties of 4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one?
4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63606700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).