4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one

C22H27N3O2 — CID 70715907

IUPAC4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one
SMILESCCN(CC)c1ccc(C(=O)N2CCN(c3ccccc3C)C(=O)C2)cc1
InChIInChI=1S/C22H27N3O2/c1-4-23(5-2)19-12-10-18(11-13-19)22(27)24-14-15-25(21(26)16-24)20-9-7-6-8-17(20)3/h6-13H,4-5,14-16H2,1-3H3
InChIKeyLCODFSVTOBSPHF-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.33
Rot. Bonds5

About 4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one

4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one (PubChem CID 70715907) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one
PubChem CID70715907
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one
SMILESCCN(CC)c1ccc(C(=O)N2CCN(c3ccccc3C)C(=O)C2)cc1
InChIInChI=1S/C22H27N3O2/c1-4-23(5-2)19-12-10-18(11-13-19)22(27)24-14-15-25(21(26)16-24)20-9-7-6-8-17(20)3/h6-13H,4-5,14-16H2,1-3H3
InChIKeyLCODFSVTOBSPHF-UHFFFAOYSA-N
XLogP3.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one
CID 70741081
[4-(diethylamino)phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanethione
CID 1032970
1-(2-methylphenyl)-4-(2-phenylbenzoyl)piperazin-2-one
CID 70760494
4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70746172
4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one
CID 96571606
(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
CID 9153899
4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70774679
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030131
2-[4-[3-(dimethylamino)benzoyl]-2-oxopiperazin-1-yl]benzonitrile
CID 70777088
5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
CID 46324289
1-(2-methylphenyl)-4-[(3S)-6-oxo-1-prop-2-enylpiperidine-3-carbonyl]piperazin-2-one
CID 96580849
4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one
CID 110741167

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one (CID 70715907) is 4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one is CCN(CC)c1ccc(C(=O)N2CCN(c3ccccc3C)C(=O)C2)cc1.
What is the InChIKey of 4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one?
The InChIKey is LCODFSVTOBSPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-23(5-2)19-12-10-18(11-13-19)22(27)24-14-15-25(21(26)16-24)20-9-7-6-8-17(20)3/h6-13H,4-5,14-16H2,1-3H3.
What are the key properties of 4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one?
4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one has a molecular weight of 365.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70715907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).