3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one

C12H20N4O3 — CID 137086682

IUPAC3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCCO[C@@H]1CCCN(C(=O)Cc2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C12H20N4O3/c1-2-6-19-9-4-3-5-16(8-9)11(17)7-10-13-12(18)15-14-10/h9H,2-8H2,1H3,(H2,13,14,15,18)/t9-/m1/s1
InChIKeyJETILMMEDVHQPJ-SECBINFHSA-N
MW268.32 g/mol
LogP0.06
Rot. Bonds5

About 3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137086682) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137086682
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCCO[C@@H]1CCCN(C(=O)Cc2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C12H20N4O3/c1-2-6-19-9-4-3-5-16(8-9)11(17)7-10-13-12(18)15-14-10/h9H,2-8H2,1H3,(H2,13,14,15,18)/t9-/m1/s1
InChIKeyJETILMMEDVHQPJ-SECBINFHSA-N
XLogP0.06
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one with MolForge

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Related Compounds

3-[1-(2-Butoxypropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136541155
3-(4-Propylmorpholin-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136294492
3-(2-Propylmorpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136315881
3-[(2R)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136706827
3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136706828
5-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 137025305
5-{2-[rac-(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 137065796
3-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086683
3-[(3R)-1-[(2R)-2-butoxypropanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137125180
3-[(3S)-1-[(2R)-2-butoxypropanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137125181
3-[(3S)-1-[(2S)-2-butoxypropanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137125182
3-[(3R)-1-[(2S)-2-butoxypropanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137125183

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137086682) is 3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one is CCCO[C@@H]1CCCN(C(=O)Cc2n[nH]c(=O)[nH]2)C1.
What is the InChIKey of 3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is JETILMMEDVHQPJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-2-6-19-9-4-3-5-16(8-9)11(17)7-10-13-12(18)15-14-10/h9H,2-8H2,1H3,(H2,13,14,15,18)/t9-/m1/s1.
What are the key properties of 3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 268.32 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137086682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).