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

C15H24N4O3 — CID 74241633

IUPAC1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one
SMILESCOCCN1CC(c2n[nH]c(C3CCOCC3)n2)CCC1=O
InChIInChI=1S/C15H24N4O3/c1-21-9-6-19-10-12(2-3-13(19)20)15-16-14(17-18-15)11-4-7-22-8-5-11/h11-12H,2-10H2,1H3,(H,16,17,18)
InChIKeyRIGLDLQXRWXAQY-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.05
Rot. Bonds5

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

1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one (PubChem CID 74241633) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one
PubChem CID74241633
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one
SMILESCOCCN1CC(c2n[nH]c(C3CCOCC3)n2)CCC1=O
InChIInChI=1S/C15H24N4O3/c1-21-9-6-19-10-12(2-3-13(19)20)15-16-14(17-18-15)11-4-7-22-8-5-11/h11-12H,2-10H2,1H3,(H,16,17,18)
InChIKeyRIGLDLQXRWXAQY-UHFFFAOYSA-N
XLogP1.05
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one with MolForge

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Related Compounds

1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-cyclopropylpropan-1-one
CID 71928722
[(2R,3aS,7aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(oxan-4-yl)methanone
CID 97369638
4-[((3S*,5R*)-5-{[4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]carbonyl}piperidin-3-yl)carbonyl]morpholine
CID 72930011
1-(cyclopropylcarbonyl)-2-[3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]piperidine
CID 74231786
1-(methoxyacetyl)-4-[3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]piperidine
CID 74234121
N-[(3S,4S)-1-isobutyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]tetrahydro-2H-pyran-4-carboxamide
CID 91921051
N-[(3S,4S)-1-(2-ethylbutyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]oxane-4-carboxamide
CID 91921071
(5S)-1-methyl-5-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]piperidin-2-one
CID 97915236
(5S)-1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one
CID 97926274
1-(2-methoxyethyl)-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}piperidine-3-carboxamide
CID 119062386
(3R)-1-(2-methoxyethyl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 126430593
(3S)-1-(2-methoxyethyl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 126430594

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one (CID 74241633) is 1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one is COCCN1CC(c2n[nH]c(C3CCOCC3)n2)CCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one?
The InChIKey is RIGLDLQXRWXAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-21-9-6-19-10-12(2-3-13(19)20)15-16-14(17-18-15)11-4-7-22-8-5-11/h11-12H,2-10H2,1H3,(H,16,17,18).
What are the key properties of 1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one?
1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one has a molecular weight of 308.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one is sourced from PubChem (CID 74241633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).