2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone

C23H29N3O2 — CID 157016143

IUPAC2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
SMILESO=C(CNC1CC1)N1CCN(C(COc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c27-23(17-24-20-11-12-20)26-15-13-25(14-16-26)22(19-7-3-1-4-8-19)18-28-21-9-5-2-6-10-21/h1-10,20,22,24H,11-18H2
InChIKeyQRWVQVOWIRWKGA-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.70
Rot. Bonds8

About 2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone

2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone (PubChem CID 157016143) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
PubChem CID157016143
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
SMILESO=C(CNC1CC1)N1CCN(C(COc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c27-23(17-24-20-11-12-20)26-15-13-25(14-16-26)22(19-7-3-1-4-8-19)18-28-21-9-5-2-6-10-21/h1-10,20,22,24H,11-18H2
InChIKeyQRWVQVOWIRWKGA-UHFFFAOYSA-N
XLogP2.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one
CID 157011519
2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858362
[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
(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157013036
(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
1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 120704605
2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671657
1-(4-benzhydrylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 2944402
2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 60938982

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone (CID 157016143) is 2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone is O=C(CNC1CC1)N1CCN(C(COc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone?
The InChIKey is QRWVQVOWIRWKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23(17-24-20-11-12-20)26-15-13-25(14-16-26)22(19-7-3-1-4-8-19)18-28-21-9-5-2-6-10-21/h1-10,20,22,24H,11-18H2.
What are the key properties of 2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone?
2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone has a molecular weight of 379.50 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 157016143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).