4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one

C22H27N3O3 — CID 26277543

IUPAC4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one
SMILESCOc1ccc(N2C(=O)CN(C(=O)c3ccccc3N(C)C)CC2(C)C)cc1
InChIInChI=1S/C22H27N3O3/c1-22(2)15-24(21(27)18-8-6-7-9-19(18)23(3)4)14-20(26)25(22)16-10-12-17(28-5)13-11-16/h6-13H,14-15H2,1-5H3
InChIKeySMASIAINLUAIHJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.03
Rot. Bonds4

About 4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one

4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one (PubChem CID 26277543) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one
PubChem CID26277543
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one
SMILESCOc1ccc(N2C(=O)CN(C(=O)c3ccccc3N(C)C)CC2(C)C)cc1
InChIInChI=1S/C22H27N3O3/c1-22(2)15-24(21(27)18-8-6-7-9-19(18)23(3)4)14-20(26)25(22)16-10-12-17(28-5)13-11-16/h6-13H,14-15H2,1-5H3
InChIKeySMASIAINLUAIHJ-UHFFFAOYSA-N
XLogP3.03
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one
CID 42248005
6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one
CID 26355505
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72894680
[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 70770006
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
4-(2-amino-5-methoxybenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888081
[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 25283547
8-[2-(dimethylamino)benzoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72841504
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
9-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one
CID 26343804
6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one
CID 26352681

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one (CID 26277543) is 4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one is COc1ccc(N2C(=O)CN(C(=O)c3ccccc3N(C)C)CC2(C)C)cc1.
What is the InChIKey of 4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one?
The InChIKey is SMASIAINLUAIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2)15-24(21(27)18-8-6-7-9-19(18)23(3)4)14-20(26)25(22)16-10-12-17(28-5)13-11-16/h6-13H,14-15H2,1-5H3.
What are the key properties of 4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one?
4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one has a molecular weight of 381.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)benzoyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-2-one is sourced from PubChem (CID 26277543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).