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

C15H24N4O3 — CID 137182018

IUPAC3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(CCC1CCCCO1)N1CCCC(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C15H24N4O3/c20-13(7-6-12-5-1-2-9-22-12)19-8-3-4-11(10-19)14-16-15(21)18-17-14/h11-12H,1-10H2,(H2,16,17,18,21)
InChIKeyJVYDZLKMEOGQNG-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.15
Rot. Bonds4

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

3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137182018) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137182018
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(CCC1CCCCO1)N1CCCC(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C15H24N4O3/c20-13(7-6-12-5-1-2-9-22-12)19-8-3-4-11(10-19)14-16-15(21)18-17-14/h11-12H,1-10H2,(H2,16,17,18,21)
InChIKeyJVYDZLKMEOGQNG-UHFFFAOYSA-N
XLogP1.15
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[3-(oxolan-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871692
5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514055
1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2S)-oxan-2-yl]propan-1-one
CID 95778944
N,N-dimethyl-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 136543163
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
1-[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95777917
methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate
CID 78954860
6,8-dimethyl-3-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-2H-isoquinolin-1-one
CID 95811054
1-[3-(bromomethyl)pyrrolidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 80667375
2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515314
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62357278

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137182018) is 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one is O=C(CCC1CCCCO1)N1CCCC(c2n[nH]c(=O)[nH]2)C1.
What is the InChIKey of 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is JVYDZLKMEOGQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c20-13(7-6-12-5-1-2-9-22-12)19-8-3-4-11(10-19)14-16-15(21)18-17-14/h11-12H,1-10H2,(H2,16,17,18,21).
What are the key properties of 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 308.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137182018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).