2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C20H19FN4O — CID 127365465

IUPAC2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCN(Cc3cccc(F)c3)C(=O)C1)CCC2
InChIInChI=1S/C20H19FN4O/c21-17-5-1-3-14(9-17)12-24-7-8-25(13-19(24)26)20-16(11-22)10-15-4-2-6-18(15)23-20/h1,3,5,9-10H,2,4,6-8,12-13H2
InChIKeyAEWWUJGTNOBGTN-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.43
Rot. Bonds3

About 2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 127365465) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID127365465
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCN(Cc3cccc(F)c3)C(=O)C1)CCC2
InChIInChI=1S/C20H19FN4O/c21-17-5-1-3-14(9-17)12-24-7-8-25(13-19(24)26)20-16(11-22)10-15-4-2-6-18(15)23-20/h1,3,5,9-10H,2,4,6-8,12-13H2
InChIKeyAEWWUJGTNOBGTN-UHFFFAOYSA-N
XLogP2.43
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 64681398
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102846633
5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile
CID 133484157
2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 62232170
4-(4-benzyl-3-oxopiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 154583266
1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one
CID 133353797
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 60711063
2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 82856125
2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
CID 171335654
1-[(3-fluorophenyl)methyl]-4-(6-methyl-5-nitro-2-pyridinyl)piperazin-2-one
CID 122137910
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 112806857

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 127365465) is 2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1N1CCN(Cc3cccc(F)c3)C(=O)C1)CCC2.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is AEWWUJGTNOBGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-17-5-1-3-14(9-17)12-24-7-8-25(13-19(24)26)20-16(11-22)10-15-4-2-6-18(15)23-20/h1,3,5,9-10H,2,4,6-8,12-13H2.
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 350.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 127365465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).