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

C14H22N4O2 — CID 70732267

IUPAC[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCn1cnnc1CC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H22N4O2/c1-17-10-15-16-13(17)9-11-4-6-18(7-5-11)14(19)12-3-2-8-20-12/h10-12H,2-9H2,1H3
InChIKeyVQBUGBVILQSZRS-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.78
Rot. Bonds3

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

[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 70732267) 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)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID70732267
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCn1cnnc1CC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H22N4O2/c1-17-10-15-16-13(17)9-11-4-6-18(7-5-11)14(19)12-3-2-8-20-12/h10-12H,2-9H2,1H3
InChIKeyVQBUGBVILQSZRS-UHFFFAOYSA-N
XLogP0.78
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.78
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)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 70732267) is [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone is Cn1cnnc1CC1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is VQBUGBVILQSZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-10-15-16-13(17)9-11-4-6-18(7-5-11)14(19)12-3-2-8-20-12/h10-12H,2-9H2,1H3.
What are the key properties of [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 0.78, 3 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)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 70732267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).