1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone

C24H30N2O2 — CID 90566765

IUPAC1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccc(OCC(=O)N2CCN(C3CC3)CC2c2ccccc2)cc1
InChIInChI=1S/C24H30N2O2/c1-18(2)19-8-12-22(13-9-19)28-17-24(27)26-15-14-25(21-10-11-21)16-23(26)20-6-4-3-5-7-20/h3-9,12-13,18,21,23H,10-11,14-17H2,1-2H3
InChIKeyFCKFIFHFRGJYGE-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.24
Rot. Bonds6

About 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone

1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone (PubChem CID 90566765) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
PubChem CID90566765
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccc(OCC(=O)N2CCN(C3CC3)CC2c2ccccc2)cc1
InChIInChI=1S/C24H30N2O2/c1-18(2)19-8-12-22(13-9-19)28-17-24(27)26-15-14-25(21-10-11-21)16-23(26)20-6-4-3-5-7-20/h3-9,12-13,18,21,23H,10-11,14-17H2,1-2H3
InChIKeyFCKFIFHFRGJYGE-UHFFFAOYSA-N
XLogP4.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone with MolForge

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Related Compounds

2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone
CID 90566753
1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 90566675
cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate
CID 71801336
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone
CID 90566711
1-(3-anilinopyrrolidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 56504074
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone
CID 124514038
1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 122255260
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90564162
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 46636703
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone (CID 90566765) is 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone is CC(C)c1ccc(OCC(=O)N2CCN(C3CC3)CC2c2ccccc2)cc1.
What is the InChIKey of 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone?
The InChIKey is FCKFIFHFRGJYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18(2)19-8-12-22(13-9-19)28-17-24(27)26-15-14-25(21-10-11-21)16-23(26)20-6-4-3-5-7-20/h3-9,12-13,18,21,23H,10-11,14-17H2,1-2H3.
What are the key properties of 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone?
1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone has a molecular weight of 378.52 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 90566765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).