1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone

C22H28FN3O — CID 60509956

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone
SMILESCN(CCCc1ccccc1)CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H28FN3O/c1-24(13-7-10-19-8-3-2-4-9-19)18-22(27)26-16-14-25(15-17-26)21-12-6-5-11-20(21)23/h2-6,8-9,11-12H,7,10,13-18H2,1H3
InChIKeyMFEHDNNCESRZEQ-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.04
Rot. Bonds7

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone (PubChem CID 60509956) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone
PubChem CID60509956
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone
SMILESCN(CCCc1ccccc1)CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H28FN3O/c1-24(13-7-10-19-8-3-2-4-9-19)18-22(27)26-16-14-25(15-17-26)21-12-6-5-11-20(21)23/h2-6,8-9,11-12H,7,10,13-18H2,1H3
InChIKeyMFEHDNNCESRZEQ-UHFFFAOYSA-N
XLogP3.04
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 55703482
2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 119912513
4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 27534631
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
N-cyclopropyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158364
2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002124
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 113167717
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
CID 124537996
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
CID 113165787
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109017069

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone (CID 60509956) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone is CN(CCCc1ccccc1)CC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone?
The InChIKey is MFEHDNNCESRZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-24(13-7-10-19-8-3-2-4-9-19)18-22(27)26-16-14-25(15-17-26)21-12-6-5-11-20(21)23/h2-6,8-9,11-12H,7,10,13-18H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone has a molecular weight of 369.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone is sourced from PubChem (CID 60509956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).