2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone

C21H25N3O — CID 66978926

IUPAC2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CNC1CC1c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25N3O/c25-21(16-22-20-15-19(20)17-7-3-1-4-8-17)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,19-20,22H,11-16H2
InChIKeyZRNUJVGIECAKNK-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.48
Rot. Bonds5

About 2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone

2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 66978926) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID66978926
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CNC1CC1c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25N3O/c25-21(16-22-20-15-19(20)17-7-3-1-4-8-17)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,19-20,22H,11-16H2
InChIKeyZRNUJVGIECAKNK-UHFFFAOYSA-N
XLogP2.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-[(2-phenylcyclopropyl)amino]ethanone
CID 66978917
4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboxamide
CID 3461621
1-(4-methylpiperazin-1-yl)-2-[[(1R,2S)-2-(4-phenoxyphenyl)cyclopropyl]amino]ethanone
CID 154002845
1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride
CID 71811172
2-[[(1S)-2-(4-cyclopropylphenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 58486500
2-[[2-(4-cyclopropylphenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 56960901
1-(4-methylpiperazin-1-yl)-2-[[2-[4-(2-phenylethoxy)phenyl]cyclopropyl]amino]ethanone
CID 66978908
N-hydroxy-4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 175752167
N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
CID 110962172
2-[[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 67370694
1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea
CID 51050042
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone (CID 66978926) is 2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CNC1CC1c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is ZRNUJVGIECAKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-21(16-22-20-15-19(20)17-7-3-1-4-8-17)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,19-20,22H,11-16H2.
What are the key properties of 2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 335.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 66978926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).