1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one

C21H24N2O3 — CID 110346348

IUPAC1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one
SMILESCC(C)(Oc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c1-21(2,26-18-11-7-4-8-12-18)20(25)23-15-13-22(14-16-23)19(24)17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3
InChIKeyYMNSFIBJPBMDTR-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.83
Rot. Bonds4

About 1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one

1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one (PubChem CID 110346348) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one
PubChem CID110346348
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one
SMILESCC(C)(Oc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c1-21(2,26-18-11-7-4-8-12-18)20(25)23-15-13-22(14-16-23)19(24)17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3
InChIKeyYMNSFIBJPBMDTR-UHFFFAOYSA-N
XLogP2.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
CID 110346370
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
CID 110346352
2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one
CID 52573410
N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide
CID 110346381
2-methyl-2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 110346389
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 75463774
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589011
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone
CID 63341086
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one (CID 110346348) is 1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one is CC(C)(Oc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one?
The InChIKey is YMNSFIBJPBMDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-21(2,26-18-11-7-4-8-12-18)20(25)23-15-13-22(14-16-23)19(24)17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one?
1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one has a molecular weight of 352.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one is sourced from PubChem (CID 110346348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).