1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile

C10H14N4 — CID 84732982

IUPAC1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile
SMILESCN1CCCC(n2ccnc2C#N)C1
InChIInChI=1S/C10H14N4/c1-13-5-2-3-9(8-13)14-6-4-12-10(14)7-11/h4,6,9H,2-3,5,8H2,1H3
InChIKeyJXXQNRKUAVNEMD-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.02
Rot. Bonds1

About 1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile

1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile (PubChem CID 84732982) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile
PubChem CID84732982
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile
SMILESCN1CCCC(n2ccnc2C#N)C1
InChIInChI=1S/C10H14N4/c1-13-5-2-3-9(8-13)14-6-4-12-10(14)7-11/h4,6,9H,2-3,5,8H2,1H3
InChIKeyJXXQNRKUAVNEMD-UHFFFAOYSA-N
XLogP1.02
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]sulfanylacetic acid
CID 61221455
3-[2-(3-methoxyphenyl)imidazol-1-yl]-1-methylpiperidine
CID 154817064
4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole
CID 70774818
4-(2-ethylimidazol-1-yl)-1-methylazepane
CID 84734196
3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine
CID 154565849
2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
CID 84732987
2-(1-methylpiperidin-3-yl)-2-pyrimidin-2-ylacetonitrile
CID 116833534
2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile
CID 104718799
2-cyclopentylpyrazole-3-carbonitrile
CID 105431659
2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrazine
CID 133315581
2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile
CID 62547856
(3S)-N-[(2R)-2-cyanopropyl]-3-(2-ethylimidazol-1-yl)-N-methylpiperidine-1-sulfonamide
CID 124734712

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile?
The IUPAC name of 1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile (CID 84732982) is 1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile is CN1CCCC(n2ccnc2C#N)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile?
The InChIKey is JXXQNRKUAVNEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-13-5-2-3-9(8-13)14-6-4-12-10(14)7-11/h4,6,9H,2-3,5,8H2,1H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile?
1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile is sourced from PubChem (CID 84732982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).