1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one

C19H21F2N3O — CID 70313673

IUPAC1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one
SMILESO=C(CCCc1ccncc1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H21F2N3O/c20-16-4-5-18(17(21)14-16)23-10-12-24(13-11-23)19(25)3-1-2-15-6-8-22-9-7-15/h4-9,14H,1-3,10-13H2
InChIKeyNDYKQVKLUZRRFO-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.03
Rot. Bonds5

About 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one

1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one (PubChem CID 70313673) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one
PubChem CID70313673
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one
SMILESO=C(CCCc1ccncc1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H21F2N3O/c20-16-4-5-18(17(21)14-16)23-10-12-24(13-11-23)19(25)3-1-2-15-6-8-22-9-7-15/h4-9,14H,1-3,10-13H2
InChIKeyNDYKQVKLUZRRFO-UHFFFAOYSA-N
XLogP3.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,4-difluorophenyl)piperazin-1-yl]butan-1-one
CID 113079847
4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119887909
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113079899
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113079882
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 138106003
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
N-[3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
CID 26959613
1-[4-[4-fluoro-2-(pyridin-4-ylmethylamino)phenyl]-1,4-diazepan-1-yl]ethanone
CID 154755179
benzyl N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 16748954
4-[3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzonitrile
CID 41388584
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 110330025

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one?
The IUPAC name of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one (CID 70313673) is 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one.
What is the SMILES notation for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one?
The canonical SMILES for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one is O=C(CCCc1ccncc1)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one?
The InChIKey is NDYKQVKLUZRRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-16-4-5-18(17(21)14-16)23-10-12-24(13-11-23)19(25)3-1-2-15-6-8-22-9-7-15/h4-9,14H,1-3,10-13H2.
What are the key properties of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one?
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one has a molecular weight of 345.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one is sourced from PubChem (CID 70313673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).