1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

C23H29N3O2 — CID 38453800

IUPAC1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCN(C)c1ccc(C(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-23(2,19-8-6-5-7-9-19)22(28)26-16-14-25(15-17-26)21(27)18-10-12-20(13-11-18)24(3)4/h5-13H,14-17H2,1-4H3
InChIKeyWSNSOHIMJRNSCI-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.01
Rot. Bonds4

About 1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (PubChem CID 38453800) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
PubChem CID38453800
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCN(C)c1ccc(C(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-23(2,19-8-6-5-7-9-19)22(28)26-16-14-25(15-17-26)21(27)18-10-12-20(13-11-18)24(3)4/h5-13H,14-17H2,1-4H3
InChIKeyWSNSOHIMJRNSCI-UHFFFAOYSA-N
XLogP3.01
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 36561721
1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453677
2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 38453759
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453817
2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589011
1-[4-[4-(dimethylamino)benzoyl]-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one
CID 110809465
[4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108547222
[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113078761
2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 46579880
[4-(dimethylamino)phenyl]-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 108547591
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (CID 38453800) is 1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is CN(C)c1ccc(C(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The InChIKey is WSNSOHIMJRNSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-23(2,19-8-6-5-7-9-19)22(28)26-16-14-25(15-17-26)21(27)18-10-12-20(13-11-18)24(3)4/h5-13H,14-17H2,1-4H3.
What are the key properties of 1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one has a molecular weight of 379.50 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 38453800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).