1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile

C14H22N4 — CID 135098483

IUPAC1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile
SMILESCC(C)Cn1cncc1CN1CCCC(C#N)C1
InChIInChI=1S/C14H22N4/c1-12(2)8-18-11-16-7-14(18)10-17-5-3-4-13(6-15)9-17/h7,11-13H,3-5,8-10H2,1-2H3
InChIKeyMTXCFBWPGNYSJS-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.27
Rot. Bonds4

About 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile

1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile (PubChem CID 135098483) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile
PubChem CID135098483
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile
SMILESCC(C)Cn1cncc1CN1CCCC(C#N)C1
InChIInChI=1S/C14H22N4/c1-12(2)8-18-11-16-7-14(18)10-17-5-3-4-13(6-15)9-17/h7,11-13H,3-5,8-10H2,1-2H3
InChIKeyMTXCFBWPGNYSJS-UHFFFAOYSA-N
XLogP2.27
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine
CID 56906309
[(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95401335
(2S)-1-[(4-fluorophenyl)methyl]-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-propan-2-yl-1,4-diazepane
CID 98771720
1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile
CID 107042907
1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol
CID 66154969
1-(4-methylpentyl)piperidine-3-carbonitrile
CID 83156656
(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol
CID 95721451
(2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
CID 95558937
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
CID 56879666
1-benzylpiperidine-3-carbonitrile
CID 22931257
ethane;1-(2-methylpropyl)pyrrolidine-3-carbonitrile
CID 171515513

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile (CID 135098483) is 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile is CC(C)Cn1cncc1CN1CCCC(C#N)C1.
What is the InChIKey of 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile?
The InChIKey is MTXCFBWPGNYSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12(2)8-18-11-16-7-14(18)10-17-5-3-4-13(6-15)9-17/h7,11-13H,3-5,8-10H2,1-2H3.
What are the key properties of 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile?
1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile is sourced from PubChem (CID 135098483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).