5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile

C14H20N4 — CID 164642998

IUPAC5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile
SMILESCCC[C@@]1(C)CCCN(c2cnc(C#N)cn2)C1
InChIInChI=1S/C14H20N4/c1-3-5-14(2)6-4-7-18(11-14)13-10-16-12(8-15)9-17-13/h9-10H,3-7,11H2,1-2H3/t14-/m0/s1
InChIKeyIIMXWHXJEPSDRF-AWEZNQCLSA-N
MW244.34 g/mol
LogP2.75
Rot. Bonds3

About 5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile

5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 164642998) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID164642998
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile
SMILESCCC[C@@]1(C)CCCN(c2cnc(C#N)cn2)C1
InChIInChI=1S/C14H20N4/c1-3-5-14(2)6-4-7-18(11-14)13-10-16-12(8-15)9-17-13/h9-10H,3-7,11H2,1-2H3/t14-/m0/s1
InChIKeyIIMXWHXJEPSDRF-AWEZNQCLSA-N
XLogP2.75
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile (CID 164642998) is 5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile is CCC[C@@]1(C)CCCN(c2cnc(C#N)cn2)C1.
What is the InChIKey of 5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is IIMXWHXJEPSDRF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-5-14(2)6-4-7-18(11-14)13-10-16-12(8-15)9-17-13/h9-10H,3-7,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile?
5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 164642998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).