3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile

C16H17N5O — CID 163352079

IUPAC3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCOc1cccc(N2CCN(c3nccnc3C#N)CC2)c1
InChIInChI=1S/C16H17N5O/c1-22-14-4-2-3-13(11-14)20-7-9-21(10-8-20)16-15(12-17)18-5-6-19-16/h2-6,11H,7-10H2,1H3
InChIKeyGXJVGOVVXFRDSG-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.68
Rot. Bonds3

About 3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 163352079) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID163352079
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCOc1cccc(N2CCN(c3nccnc3C#N)CC2)c1
InChIInChI=1S/C16H17N5O/c1-22-14-4-2-3-13(11-14)20-7-9-21(10-8-20)16-15(12-17)18-5-6-19-16/h2-6,11H,7-10H2,1H3
InChIKeyGXJVGOVVXFRDSG-UHFFFAOYSA-N
XLogP1.68
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 163351981
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773
1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 154829029
[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 43823491
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea
CID 139029366
3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 62683141
5-chloro-2-[4-(3-methoxyphenyl)piperazin-1-yl]benzonitrile
CID 133282150
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
1-(3-methoxyphenyl)azepane
CID 57276431
3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126896874

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 163352079) is 3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile is COc1cccc(N2CCN(c3nccnc3C#N)CC2)c1.
What is the InChIKey of 3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is GXJVGOVVXFRDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-22-14-4-2-3-13(11-14)20-7-9-21(10-8-20)16-15(12-17)18-5-6-19-16/h2-6,11H,7-10H2,1H3.
What are the key properties of 3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 163352079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).