4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine

C19H28N6O — CID 72920454

IUPAC4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine
SMILESc1cn(Cc2nnc(C3CCN(C4CCOCC4)CC3)n2C2CC2)cn1
InChIInChI=1S/C19H28N6O/c1-2-17(1)25-18(13-23-10-7-20-14-23)21-22-19(25)15-3-8-24(9-4-15)16-5-11-26-12-6-16/h7,10,14-17H,1-6,8-9,11-13H2
InChIKeyWCLFZMBDXDRNAQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.22
Rot. Bonds5

About 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine

4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine (PubChem CID 72920454) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine
PubChem CID72920454
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine
SMILESc1cn(Cc2nnc(C3CCN(C4CCOCC4)CC3)n2C2CC2)cn1
InChIInChI=1S/C19H28N6O/c1-2-17(1)25-18(13-23-10-7-20-14-23)21-22-19(25)15-3-8-24(9-4-15)16-5-11-26-12-6-16/h7,10,14-17H,1-6,8-9,11-13H2
InChIKeyWCLFZMBDXDRNAQ-UHFFFAOYSA-N
XLogP2.22
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine with MolForge

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Related Compounds

2-[4-[4-Cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 72918546
2-{4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}propane-1,3-diol
CID 72881974
1-cyclohexyl-4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72885805
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(2,2-dimethylpropyl)piperidine
CID 72912276
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1,4'-bipiperidine
CID 72917024
5-[1-(1H-imidazol-1-ylmethyl)cyclopropyl]-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
CID 74232243
1-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[(2-methylimidazol-1-yl)methyl]-3-(oxan-4-yl)-1,2,4-triazole
CID 97931960
4-(4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)butan-1-ol
CID 72850986
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isopropylpiperidine
CID 72851856
1-butyryl-4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72930455
(1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
CID 163871761
4-[(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 53568745

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine?
The IUPAC name of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine (CID 72920454) is 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine.
What is the SMILES notation for 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine?
The canonical SMILES for 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine is c1cn(Cc2nnc(C3CCN(C4CCOCC4)CC3)n2C2CC2)cn1.
What is the InChIKey of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine?
The InChIKey is WCLFZMBDXDRNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-2-17(1)25-18(13-23-10-7-20-14-23)21-22-19(25)15-3-8-24(9-4-15)16-5-11-26-12-6-16/h7,10,14-17H,1-6,8-9,11-13H2.
What are the key properties of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine?
4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine has a molecular weight of 356.47 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 72920454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).