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

C20H24FN3O — CID 110610624

IUPAC1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one
SMILESCN1CCN(C(=O)CCCc2cccnc2)CC1c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O/c1-23-12-13-24(15-19(23)17-7-9-18(21)10-8-17)20(25)6-2-4-16-5-3-11-22-14-16/h3,5,7-11,14,19H,2,4,6,12-13,15H2,1H3
InChIKeyYCCUBDGVSGZRMO-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.06
Rot. Bonds5

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

1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one (PubChem CID 110610624) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one
PubChem CID110610624
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one
SMILESCN1CCN(C(=O)CCCc2cccnc2)CC1c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O/c1-23-12-13-24(15-19(23)17-7-9-18(21)10-8-17)20(25)6-2-4-16-5-3-11-22-14-16/h3,5,7-11,14,19H,2,4,6,12-13,15H2,1H3
InChIKeyYCCUBDGVSGZRMO-UHFFFAOYSA-N
XLogP3.06
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110610609
1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110608671
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110611606
[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 84513587
1-[2-(4-fluorophenyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70715895
1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one
CID 110632312
1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]butane-1,4-dione
CID 110617335
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylbutan-1-one
CID 110610580
1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one
CID 57095920
1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110610379
3-(1,1-dioxothiolan-3-yl)-1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]propan-1-one
CID 110617347
1-[(3S)-4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepan-1-yl]-3-pyridin-3-ylpropan-1-one
CID 95502673

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one (CID 110610624) is 1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one is CN1CCN(C(=O)CCCc2cccnc2)CC1c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one?
The InChIKey is YCCUBDGVSGZRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-23-12-13-24(15-19(23)17-7-9-18(21)10-8-17)20(25)6-2-4-16-5-3-11-22-14-16/h3,5,7-11,14,19H,2,4,6,12-13,15H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one?
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one has a molecular weight of 341.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 110610624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).