1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one

C22H28FN3O — CID 110608671

IUPAC1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
SMILESO=C(CCCc1cccnc1)N1CCN(CCCc2cccc(F)c2)CC1
InChIInChI=1S/C22H28FN3O/c23-21-9-1-5-19(17-21)8-4-12-25-13-15-26(16-14-25)22(27)10-2-6-20-7-3-11-24-18-20/h1,3,5,7,9,11,17-18H,2,4,6,8,10,12-16H2
InChIKeyZCUOMFJUZHQGDA-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.32
Rot. Bonds8

About 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one

1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one (PubChem CID 110608671) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
PubChem CID110608671
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
SMILESO=C(CCCc1cccnc1)N1CCN(CCCc2cccc(F)c2)CC1
InChIInChI=1S/C22H28FN3O/c23-21-9-1-5-19(17-21)8-4-12-25-13-15-26(16-14-25)22(27)10-2-6-20-7-3-11-24-18-20/h1,3,5,7,9,11,17-18H,2,4,6,8,10,12-16H2
InChIKeyZCUOMFJUZHQGDA-UHFFFAOYSA-N
XLogP3.32
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110611606
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110610624
1-[2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-3-pyridin-3-ylpropan-1-one
CID 97392779
1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110602349
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78806232
[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110602338
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one
CID 110608661
1-[4-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58348017
4-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenyl]propyl]piperazine-1-carboxylic acid
CID 68542803
1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 97393132

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one?
The IUPAC name of 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one (CID 110608671) is 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one?
The canonical SMILES for 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one is O=C(CCCc1cccnc1)N1CCN(CCCc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one?
The InChIKey is ZCUOMFJUZHQGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c23-21-9-1-5-19(17-21)8-4-12-25-13-15-26(16-14-25)22(27)10-2-6-20-7-3-11-24-18-20/h1,3,5,7,9,11,17-18H,2,4,6,8,10,12-16H2.
What are the key properties of 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one?
1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one has a molecular weight of 369.48 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 110608671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).