3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one

C11H16N4O4 — CID 154851376

IUPAC3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(C1OCCO1)N1CCC(c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C11H16N4O4/c16-9(10-18-5-6-19-10)15-3-1-7(2-4-15)8-12-11(17)14-13-8/h7,10H,1-6H2,(H2,12,13,14,17)
InChIKeyINQPZMFPUWRCEP-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.82
Rot. Bonds2

About 3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one

3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 154851376) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID154851376
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(C1OCCO1)N1CCC(c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C11H16N4O4/c16-9(10-18-5-6-19-10)15-3-1-7(2-4-15)8-12-11(17)14-13-8/h7,10H,1-6H2,(H2,12,13,14,17)
InChIKeyINQPZMFPUWRCEP-UHFFFAOYSA-N
XLogP-0.82
TPSA100.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one with MolForge

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Related Compounds

4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one
CID 166239971
3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 154871579
3-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 138002521
3-[1-(4H-1,3-benzodioxine-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 166239972
3-[1-[(1S,4S,5S)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carbonyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 166268586
3-[1-(4-chloro-1-methylpyrrole-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136539667
1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 166301319
3-[1-(4-phenyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 138002526
N,N-dimethyl-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 136543163
3-[1-[2-(1-benzothiophen-3-yl)acetyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137159068
3-(1,1-dioxothian-4-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136999496
3-[1-[4-(bromomethylidene)piperidine-1-carbonyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 167755293

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 154851376) is 3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one is O=C(C1OCCO1)N1CCC(c2n[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is INQPZMFPUWRCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c16-9(10-18-5-6-19-10)15-3-1-7(2-4-15)8-12-11(17)14-13-8/h7,10H,1-6H2,(H2,12,13,14,17).
What are the key properties of 3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 268.27 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-dioxolane-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 154851376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).