2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone

C20H23F2N3O — CID 119877493

IUPAC2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
SMILESCC(c1ccc(F)cc1F)N1CCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C20H23F2N3O/c1-14(17-8-7-16(21)13-18(17)22)24-9-11-25(12-10-24)20(26)19(23)15-5-3-2-4-6-15/h2-8,13-14,19H,9-12,23H2,1H3
InChIKeyHOBQIGDWXAPYBL-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.87
Rot. Bonds4

About 2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone

2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 119877493) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is 2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
PubChem CID119877493
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC Name2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
SMILESCC(c1ccc(F)cc1F)N1CCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C20H23F2N3O/c1-14(17-8-7-16(21)13-18(17)22)24-9-11-25(12-10-24)20(26)19(23)15-5-3-2-4-6-15/h2-8,13-14,19H,9-12,23H2,1H3
InChIKeyHOBQIGDWXAPYBL-UHFFFAOYSA-N
XLogP2.87
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119953698
2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119877503
(1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 119877513
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898929
2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 75518092
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
(2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8688227
2-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 56818364
2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 94435985
[(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 125146639
(5-amino-2-methylphenyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 120646250
[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 122142183

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone (CID 119877493) is 2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone is CC(c1ccc(F)cc1F)N1CCN(C(=O)C(N)c2ccccc2)CC1.
What is the InChIKey of 2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is HOBQIGDWXAPYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O/c1-14(17-8-7-16(21)13-18(17)22)24-9-11-25(12-10-24)20(26)19(23)15-5-3-2-4-6-15/h2-8,13-14,19H,9-12,23H2,1H3.
What are the key properties of 2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 359.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 119877493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).