1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone

C22H27N3O2 — CID 110804228

IUPAC1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-17-7-9-18(10-8-17)15-21(26)24-11-13-25(14-12-24)22(27)19-5-4-6-20(16-19)23(2)3/h4-10,16H,11-15H2,1-3H3
InChIKeyLDFNTLGIZYDDNA-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.59
Rot. Bonds4

About 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone

1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 110804228) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID110804228
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-17-7-9-18(10-8-17)15-21(26)24-11-13-25(14-12-24)22(27)19-5-4-6-20(16-19)23(2)3/h4-10,16H,11-15H2,1-3H3
InChIKeyLDFNTLGIZYDDNA-UHFFFAOYSA-N
XLogP2.59
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)ethanone
CID 38463044
1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110814766
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365749
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818154
1-[4-[3-(dimethylamino)benzoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807298
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 32824583
2-(4-chlorophenyl)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 110365210
1-[4-(3,4-difluorobenzoyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)ethanone
CID 110798963
N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110365768
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
2-(3-bromophenyl)-1-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 60619856

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone (CID 110804228) is 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)cc1.
What is the InChIKey of 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is LDFNTLGIZYDDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-7-9-18(10-8-17)15-21(26)24-11-13-25(14-12-24)22(27)19-5-4-6-20(16-19)23(2)3/h4-10,16H,11-15H2,1-3H3.
What are the key properties of 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone?
1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 365.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 110804228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).