[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone

C14H22N4O2 — CID 38003820

IUPAC[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCn1cnnc1C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C14H22N4O2/c1-17-10-15-16-13(17)11-2-6-18(7-3-11)14(19)12-4-8-20-9-5-12/h10-12H,2-9H2,1H3
InChIKeyOYBKCGKKUPMCLP-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.95
Rot. Bonds2

About [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone

[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 38003820) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID38003820
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCn1cnnc1C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C14H22N4O2/c1-17-10-15-16-13(17)11-2-6-18(7-3-11)14(19)12-4-8-20-9-5-12/h10-12H,2-9H2,1H3
InChIKeyOYBKCGKKUPMCLP-UHFFFAOYSA-N
XLogP0.95
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone (CID 38003820) is [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone is Cn1cnnc1C1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is OYBKCGKKUPMCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-10-15-16-13(17)11-2-6-18(7-3-11)14(19)12-4-8-20-9-5-12/h10-12H,2-9H2,1H3.
What are the key properties of [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 38003820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).