propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate

C18H28N6O2 — CID 72886702

IUPACpropan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate
SMILESCCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C18H28N6O2/c1-5-24-16(12-23-11-8-19-14(23)4)20-21-17(24)15-6-9-22(10-7-15)18(25)26-13(2)3/h8,11,13,15H,5-7,9-10,12H2,1-4H3
InChIKeyMMURNSIQHZYXSW-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.58
Rot. Bonds5

About propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate

propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate (PubChem CID 72886702) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate
PubChem CID72886702
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Namepropan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate
SMILESCCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C18H28N6O2/c1-5-24-16(12-23-11-8-19-14(23)4)20-21-17(24)15-6-9-22(10-7-15)18(25)26-13(2)3/h8,11,13,15H,5-7,9-10,12H2,1-4H3
InChIKeyMMURNSIQHZYXSW-UHFFFAOYSA-N
XLogP2.58
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72872849
[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 72839586
[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 72904054
4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine
CID 72905123
1-cycloheptyl-4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
CID 72864739
N,N-dimethyl-4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 72883167
2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine
CID 72859690
3-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 72891700
cyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72896190
propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 72932190
4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72842227
4-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-4-oxobutanamide
CID 72909332

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate (CID 72886702) is propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate is CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
The InChIKey is MMURNSIQHZYXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-5-24-16(12-23-11-8-19-14(23)4)20-21-17(24)15-6-9-22(10-7-15)18(25)26-13(2)3/h8,11,13,15H,5-7,9-10,12H2,1-4H3.
What are the key properties of propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate has a molecular weight of 360.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 72886702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).