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

C16H23N5 — CID 133284433

IUPAC3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C16H23N5/c17-12-15-16(19-7-6-18-15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h6-7,14H,1-5,8-11,13H2
InChIKeyWVEZLBFZVKPEHT-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.05
Rot. Bonds3

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

3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133284433) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133284433
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C16H23N5/c17-12-15-16(19-7-6-18-15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h6-7,14H,1-5,8-11,13H2
InChIKeyWVEZLBFZVKPEHT-UHFFFAOYSA-N
XLogP2.05
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133284179
3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133283854
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 121109858
3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile
CID 115307614
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 63241718
3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid
CID 55104922
3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 29151773
3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 18526471
3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284368
3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133396027
3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 91406817

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 133284433) is 3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is WVEZLBFZVKPEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c17-12-15-16(19-7-6-18-15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h6-7,14H,1-5,8-11,13H2.
What are the key properties of 3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).