2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate

C15H25N3O2 — CID 142773337

IUPAC2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate
SMILESCc1cn(C2CCN(C(=O)OCC(C)C)CC2)c(C)n1
InChIInChI=1S/C15H25N3O2/c1-11(2)10-20-15(19)17-7-5-14(6-8-17)18-9-12(3)16-13(18)4/h9,11,14H,5-8,10H2,1-4H3
InChIKeyLKYOGJHKVZZDHF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.93
Rot. Bonds3

About 2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate

2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate (PubChem CID 142773337) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate
PubChem CID142773337
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate
SMILESCc1cn(C2CCN(C(=O)OCC(C)C)CC2)c(C)n1
InChIInChI=1S/C15H25N3O2/c1-11(2)10-20-15(19)17-7-5-14(6-8-17)18-9-12(3)16-13(18)4/h9,11,14H,5-8,10H2,1-4H3
InChIKeyLKYOGJHKVZZDHF-UHFFFAOYSA-N
XLogP2.93
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate 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

ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate
CID 106560676
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-methylpropyl 4-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
CID 67384385
2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate
CID 142778163
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate
CID 69192840
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate
CID 69120900
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate
CID 86778928
2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562438

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate (CID 142773337) is 2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate is Cc1cn(C2CCN(C(=O)OCC(C)C)CC2)c(C)n1.
What is the InChIKey of 2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate?
The InChIKey is LKYOGJHKVZZDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)10-20-15(19)17-7-5-14(6-8-17)18-9-12(3)16-13(18)4/h9,11,14H,5-8,10H2,1-4H3.
What are the key properties of 2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate?
2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 142773337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).