2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one

C22H26N2O3 — CID 52573410

IUPAC2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)21(26)24-15-13-23(14-16-24)20(25)17-9-11-19(12-10-17)27-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3
InChIKeyGLTYFMTXJXMWEO-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.81
Rot. Bonds3

About 2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 52573410) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one
PubChem CID52573410
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)21(26)24-15-13-23(14-16-24)20(25)17-9-11-19(12-10-17)27-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3
InChIKeyGLTYFMTXJXMWEO-UHFFFAOYSA-N
XLogP3.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
1-[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 39980027
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 86275091
(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 24517801
1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one
CID 110346348
4-[4-[1-(4-phenoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2771225
ethyl 4-(4-phenoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808983
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
CID 110346370
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one (CID 52573410) is 2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is GLTYFMTXJXMWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2,3)21(26)24-15-13-23(14-16-24)20(25)17-9-11-19(12-10-17)27-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 366.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 52573410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).