1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone

C17H26N6O2 — CID 72868233

IUPAC1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)COC)CC1
InChIInChI=1S/C17H26N6O2/c1-4-23-15(11-22-10-7-18-13(22)2)19-20-17(23)14-5-8-21(9-6-14)16(24)12-25-3/h7,10,14H,4-6,8-9,11-12H2,1-3H3
InChIKeySZJPQCFDSINJIU-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.20
Rot. Bonds6

About 1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone

1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 72868233) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID72868233
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)COC)CC1
InChIInChI=1S/C17H26N6O2/c1-4-23-15(11-22-10-7-18-13(22)2)19-20-17(23)14-5-8-21(9-6-14)16(24)12-25-3/h7,10,14H,4-6,8-9,11-12H2,1-3H3
InChIKeySZJPQCFDSINJIU-UHFFFAOYSA-N
XLogP1.20
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone with MolForge

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Launch Full Analysis

Related Compounds

4-ethyl-5-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56718322
1-(ethoxyacetyl)-4-(1-methyl-1H-imidazol-2-yl)piperidine
CID 70720685
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(methoxyacetyl)piperidine
CID 70737829
methyl 4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70738536
isopropyl 4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70757583
3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidine
CID 72852648
4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine
CID 72871457
1-(methoxyacetyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72880226
4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-[(1-methylcyclopropyl)carbonyl]piperidine
CID 72899496
4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidine
CID 72914097
4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl}piperidine
CID 72919239
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(ethoxyacetyl)piperidine
CID 72937922

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone (CID 72868233) is 1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone is CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)COC)CC1.
What is the InChIKey of 1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is SZJPQCFDSINJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-4-23-15(11-22-10-7-18-13(22)2)19-20-17(23)14-5-8-21(9-6-14)16(24)12-25-3/h7,10,14H,4-6,8-9,11-12H2,1-3H3.
What are the key properties of 1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 346.44 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 72868233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).