3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile

C18H20N4 — CID 95130733

IUPAC3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile
SMILESC[C@H](c1ccc(-c2nccnc2C#N)cc1)N1CCCCC1
InChIInChI=1S/C18H20N4/c1-14(22-11-3-2-4-12-22)15-5-7-16(8-6-15)18-17(13-19)20-9-10-21-18/h5-10,14H,2-4,11-12H2,1H3/t14-/m1/s1
InChIKeyKZSJLNPBWQEHBU-CQSZACIVSA-N
MW292.39 g/mol
LogP3.56
Rot. Bonds3

About 3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile

3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile (PubChem CID 95130733) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile
PubChem CID95130733
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile
SMILESC[C@H](c1ccc(-c2nccnc2C#N)cc1)N1CCCCC1
InChIInChI=1S/C18H20N4/c1-14(22-11-3-2-4-12-22)15-5-7-16(8-6-15)18-17(13-19)20-9-10-21-18/h5-10,14H,2-4,11-12H2,1H3/t14-/m1/s1
InChIKeyKZSJLNPBWQEHBU-CQSZACIVSA-N
XLogP3.56
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile (CID 95130733) is 3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile is C[C@H](c1ccc(-c2nccnc2C#N)cc1)N1CCCCC1.
What is the InChIKey of 3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile?
The InChIKey is KZSJLNPBWQEHBU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N4/c1-14(22-11-3-2-4-12-22)15-5-7-16(8-6-15)18-17(13-19)20-9-10-21-18/h5-10,14H,2-4,11-12H2,1H3/t14-/m1/s1.
What are the key properties of 3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile?
3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile has a molecular weight of 292.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 95130733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).