3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one

C24H25FN2O — CID 9398051

IUPAC3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H25FN2O/c25-23-11-4-2-7-20(23)12-13-24(28)27-16-14-26(15-17-27)18-21-9-5-8-19-6-1-3-10-22(19)21/h1-11H,12-18H2
InChIKeyCHUIRFOLHLGZIJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.26
Rot. Bonds5

About 3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one

3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 9398051) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID9398051
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H25FN2O/c25-23-11-4-2-7-20(23)12-13-24(28)27-16-14-26(15-17-27)18-21-9-5-8-19-6-1-3-10-22(19)21/h1-11H,12-18H2
InChIKeyCHUIRFOLHLGZIJ-UHFFFAOYSA-N
XLogP4.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 9397565
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110613299
4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110421664
1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
3-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]propan-1-one
CID 95351563
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 171151119
(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397599
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 67588371
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113074066
2,2-dimethyl-N-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]propanamide
CID 37216695

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one (CID 9398051) is 3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one is O=C(CCc1ccccc1F)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is CHUIRFOLHLGZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c25-23-11-4-2-7-20(23)12-13-24(28)27-16-14-26(15-17-27)18-21-9-5-8-19-6-1-3-10-22(19)21/h1-11H,12-18H2.
What are the key properties of 3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one?
3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 376.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 9398051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).