3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile

C16H24N6 — CID 133284179

IUPAC3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCN1CCN(CC2CCN(c3nccnc3C#N)CC2)CC1
InChIInChI=1S/C16H24N6/c1-20-8-10-21(11-9-20)13-14-2-6-22(7-3-14)16-15(12-17)18-4-5-19-16/h4-5,14H,2-3,6-11,13H2,1H3
InChIKeyMSNWOBWNDCCTFX-UHFFFAOYSA-N
MW300.41 g/mol
LogP0.81
Rot. Bonds3

About 3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile

3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133284179) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID133284179
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCN1CCN(CC2CCN(c3nccnc3C#N)CC2)CC1
InChIInChI=1S/C16H24N6/c1-20-8-10-21(11-9-20)13-14-2-6-22(7-3-14)16-15(12-17)18-4-5-19-16/h4-5,14H,2-3,6-11,13H2,1H3
InChIKeyMSNWOBWNDCCTFX-UHFFFAOYSA-N
XLogP0.81
TPSA59.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284433
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 29151773
3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile
CID 115307614
ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171070111
3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126944336
3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 97094547
ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171069831
2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine
CID 162664186
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 121109858
1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 62684699
3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133396027

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile (CID 133284179) is 3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile is CN1CCN(CC2CCN(c3nccnc3C#N)CC2)CC1.
What is the InChIKey of 3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is MSNWOBWNDCCTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-20-8-10-21(11-9-20)13-14-2-6-22(7-3-14)16-15(12-17)18-4-5-19-16/h4-5,14H,2-3,6-11,13H2,1H3.
What are the key properties of 3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 300.41 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).