(2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

C13H20N4O2 — CID 119066425

IUPAC(2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCC1(C(=O)N2CCC(n3cnnc3)CC2)CCCO1
InChIInChI=1S/C13H20N4O2/c1-13(5-2-8-19-13)12(18)16-6-3-11(4-7-16)17-9-14-15-10-17/h9-11H,2-8H2,1H3
InChIKeyOKKHPNQIVYXHKB-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.01
Rot. Bonds2

About (2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

(2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 119066425) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID119066425
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCC1(C(=O)N2CCC(n3cnnc3)CC2)CCCO1
InChIInChI=1S/C13H20N4O2/c1-13(5-2-8-19-13)12(18)16-6-3-11(4-7-16)17-9-14-15-10-17/h9-11H,2-8H2,1H3
InChIKeyOKKHPNQIVYXHKB-UHFFFAOYSA-N
XLogP1.01
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CID 119066425) is (2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is CC1(C(=O)N2CCC(n3cnnc3)CC2)CCCO1.
What is the InChIKey of (2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is OKKHPNQIVYXHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(5-2-8-19-13)12(18)16-6-3-11(4-7-16)17-9-14-15-10-17/h9-11H,2-8H2,1H3.
What are the key properties of (2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
(2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 264.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119066425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).