5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile

C16H14FN5O — CID 133484157

IUPAC5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)cn1
InChIInChI=1S/C16H14FN5O/c17-13-3-1-2-12(6-13)10-22-5-4-21(11-16(22)23)15-9-19-14(7-18)8-20-15/h1-3,6,8-9H,4-5,10-11H2
InChIKeyCOPFCLRZEUKCKN-UHFFFAOYSA-N
MW311.32 g/mol
LogP1.34
Rot. Bonds3

About 5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile

5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133484157) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133484157
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)cn1
InChIInChI=1S/C16H14FN5O/c17-13-3-1-2-12(6-13)10-22-5-4-21(11-16(22)23)15-9-19-14(7-18)8-20-15/h1-3,6,8-9H,4-5,10-11H2
InChIKeyCOPFCLRZEUKCKN-UHFFFAOYSA-N
XLogP1.34
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one
CID 133353797
2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 127365465
4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
CID 133353791
6-[4-[(2,5-difluorophenyl)methyl]-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
CID 171328486
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
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120903826
5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290515
4-(4-benzyl-3-oxopiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 154583266
1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one
CID 57461799
5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290263
2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
CID 171335654

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile (CID 133484157) is 5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)cn1.
What is the InChIKey of 5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is COPFCLRZEUKCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c17-13-3-1-2-12(6-13)10-22-5-4-21(11-16(22)23)15-9-19-14(7-18)8-20-15/h1-3,6,8-9H,4-5,10-11H2.
What are the key properties of 5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile?
5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 311.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133484157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).