3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile

C17H15FN4O2 — CID 150388776

IUPAC3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2cccc(N3CCNCC3=O)n2)c(F)c1
InChIInChI=1S/C17H15FN4O2/c18-14-8-12(9-19)4-5-13(14)11-24-16-3-1-2-15(21-16)22-7-6-20-10-17(22)23/h1-5,8,20H,6-7,10-11H2
InChIKeyHBGHSNVIVHAHNZ-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.61
Rot. Bonds4

About 3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile

3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile (PubChem CID 150388776) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile
PubChem CID150388776
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2cccc(N3CCNCC3=O)n2)c(F)c1
InChIInChI=1S/C17H15FN4O2/c18-14-8-12(9-19)4-5-13(14)11-24-16-3-1-2-15(21-16)22-7-6-20-10-17(22)23/h1-5,8,20H,6-7,10-11H2
InChIKeyHBGHSNVIVHAHNZ-UHFFFAOYSA-N
XLogP1.61
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(1,4-diazepan-1-yl)-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 164544839
4-[[6-(azetidin-3-ylamino)-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 165174651
4-[(6-chloro-2-pyridinyl)oxymethyl]-3-fluorobenzonitrile
CID 134611185
3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile
CID 156731509
4-[[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile;trihydrobromide
CID 170764769
4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 175368029
3-fluoro-4-[[4-(methoxymethyl)-6-piperazin-1-yl-2-pyridinyl]oxymethyl]benzonitrile
CID 167093673
tert-butyl (3S)-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylpiperazine-1-carboxylate
CID 167093684
3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile
CID 178135367
4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxypiperidine-1-carboxylic acid
CID 175742572
2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide
CID 178144049
3-fluoro-4-[[6-[1-[5-(2H-tetrazol-5-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]benzonitrile
CID 164602358

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile (CID 150388776) is 3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile is N#Cc1ccc(COc2cccc(N3CCNCC3=O)n2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile?
The InChIKey is HBGHSNVIVHAHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-14-8-12(9-19)4-5-13(14)11-24-16-3-1-2-15(21-16)22-7-6-20-10-17(22)23/h1-5,8,20H,6-7,10-11H2.
What are the key properties of 3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile?
3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile has a molecular weight of 326.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile is sourced from PubChem (CID 150388776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).