3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one

C24H30N2O2 — CID 157011519

IUPAC3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CC1)N1CCN(C(COc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c27-24(14-13-20-11-12-20)26-17-15-25(16-18-26)23(21-7-3-1-4-8-21)19-28-22-9-5-2-6-10-22/h1-10,20,23H,11-19H2
InChIKeyHAUGOLSGRQJNLE-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.14
Rot. Bonds8

About 3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one

3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one (PubChem CID 157011519) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one
PubChem CID157011519
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CC1)N1CCN(C(COc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c27-24(14-13-20-11-12-20)26-17-15-25(16-18-26)23(21-7-3-1-4-8-21)19-28-22-9-5-2-6-10-22/h1-10,20,23H,11-19H2
InChIKeyHAUGOLSGRQJNLE-UHFFFAOYSA-N
XLogP4.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
CID 157016143
1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one
CID 1328826
3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one
CID 92756535
3-cyclohexyl-1-[4-(3-phenoxypropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547506
[3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157015324
[1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014799
1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
CID 21228853
1-(4-benzhydrylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 2944402
(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157018471
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014538
(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157013036
3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 91913389

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one (CID 157011519) is 3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one is O=C(CCC1CC1)N1CCN(C(COc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one?
The InChIKey is HAUGOLSGRQJNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-24(14-13-20-11-12-20)26-17-15-25(16-18-26)23(21-7-3-1-4-8-21)19-28-22-9-5-2-6-10-22/h1-10,20,23H,11-19H2.
What are the key properties of 3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one?
3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one has a molecular weight of 378.52 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 157011519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).