2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone

C20H25N3O — CID 108997260

IUPAC2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCC(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-17(18-8-4-2-5-9-18)21-16-20(24)23-14-12-22(13-15-23)19-10-6-3-7-11-19/h2-11,17,21H,12-16H2,1H3
InChIKeyWJHDYUCIIODEIQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.69
Rot. Bonds5

About 2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone

2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 108997260) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID108997260
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCC(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-17(18-8-4-2-5-9-18)21-16-20(24)23-14-12-22(13-15-23)19-10-6-3-7-11-19/h2-11,17,21H,12-16H2,1H3
InChIKeyWJHDYUCIIODEIQ-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 112769455
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 41140882
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
CID 109018108
2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002140
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183
1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 43284244
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
3-methyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873770

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone (CID 108997260) is 2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone is CC(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is WJHDYUCIIODEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-17(18-8-4-2-5-9-18)21-16-20(24)23-14-12-22(13-15-23)19-10-6-3-7-11-19/h2-11,17,21H,12-16H2,1H3.
What are the key properties of 2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 323.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108997260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).