(2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one

C20H23FN2O — CID 24738134

IUPAC(2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCN(C)CC1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C20H23FN2O/c1-15(20(24)23-12-10-22(2)11-13-23)17-8-9-18(19(21)14-17)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3/t15-/m1/s1
InChIKeyJGDZNXGONHPDMN-OAHLLOKOSA-N
MW326.42 g/mol
LogP3.37
Rot. Bonds3

About (2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one

(2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 24738134) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is (2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID24738134
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name(2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCN(C)CC1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C20H23FN2O/c1-15(20(24)23-12-10-22(2)11-13-23)17-8-9-18(19(21)14-17)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3/t15-/m1/s1
InChIKeyJGDZNXGONHPDMN-OAHLLOKOSA-N
XLogP3.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one (CID 24738134) is (2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one is C[C@@H](C(=O)N1CCN(C)CC1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of (2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is JGDZNXGONHPDMN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-15(20(24)23-12-10-22(2)11-13-23)17-8-9-18(19(21)14-17)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one?
(2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 326.42 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 24738134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).