[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone

C15H24N4O3 — CID 118776338

IUPAC[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCn1c(CO)nnc1C1CCCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C15H24N4O3/c1-18-13(10-20)16-17-14(18)12-3-2-6-19(9-12)15(21)11-4-7-22-8-5-11/h11-12,20H,2-10H2,1H3
InChIKeyHQAPYAMMBUJIPU-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.44
Rot. Bonds3

About [3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone

[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 118776338) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is [3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID118776338
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCn1c(CO)nnc1C1CCCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C15H24N4O3/c1-18-13(10-20)16-17-14(18)12-3-2-6-19(9-12)15(21)11-4-7-22-8-5-11/h11-12,20H,2-10H2,1H3
InChIKeyHQAPYAMMBUJIPU-UHFFFAOYSA-N
XLogP0.44
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone with MolForge

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Related Compounds

2-[methyl({4-methyl-5-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)amino]ethanol
CID 70754917
[3-[4-Methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 70766722
2-[methyl({4-methyl-5-[1-(4-methylpentanoyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)amino]ethanol
CID 70768671
(5S)-1-methyl-5-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]piperidin-2-one
CID 97915236
{4-methyl-5-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methanol
CID 86287101
4-{[4-methyl-5-(1-propionylpiperidin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 119067830
[4-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 38003820
[4-methyl-5-({1-[3-(1,2-oxazinan-2-yl)propanoyl]piperidin-4-yl}methyl)-4H-1,2,4-triazol-3-yl]methanol
CID 50984202
4-({4-methyl-5-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70711243
4-({5-[1-(cyclopropylcarbonyl)piperidin-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70729641
4-({4-methyl-5-[1-(4-methylpentanoyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70736326
2-{3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-2-oxoethanol
CID 70739128

Frequently Asked Questions

What is the IUPAC name of [3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone (CID 118776338) is [3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone is Cn1c(CO)nnc1C1CCCN(C(=O)C2CCOCC2)C1.
What is the InChIKey of [3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is HQAPYAMMBUJIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-18-13(10-20)16-17-14(18)12-3-2-6-19(9-12)15(21)11-4-7-22-8-5-11/h11-12,20H,2-10H2,1H3.
What are the key properties of [3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 308.38 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 118776338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).