4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one

C18H30N4O4 — CID 56710278

IUPAC4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(=O)COCC3CCCCO3)CC2)nn(C)c1=O
InChIInChI=1S/C18H30N4O4/c1-3-22-17(19-20(2)18(22)24)14-7-9-21(10-8-14)16(23)13-25-12-15-6-4-5-11-26-15/h14-15H,3-13H2,1-2H3
InChIKeyOTCWYAKOBYYXQG-UHFFFAOYSA-N
MW366.46 g/mol
LogP0.89
Rot. Bonds6

About 4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one

4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 56710278) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID56710278
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(=O)COCC3CCCCO3)CC2)nn(C)c1=O
InChIInChI=1S/C18H30N4O4/c1-3-22-17(19-20(2)18(22)24)14-7-9-21(10-8-14)16(23)13-25-12-15-6-4-5-11-26-15/h14-15H,3-13H2,1-2H3
InChIKeyOTCWYAKOBYYXQG-UHFFFAOYSA-N
XLogP0.89
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908
1-[4-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 92622482
1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 98314112
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91832507
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91840823
1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 110263923
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97142931
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 97136574
1-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)-2-(oxolan-2-ylmethoxy)ethanone
CID 154566913
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124754048
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 99971048

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one (CID 56710278) is 4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one is CCn1c(C2CCN(C(=O)COCC3CCCCO3)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is OTCWYAKOBYYXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-3-22-17(19-20(2)18(22)24)14-7-9-21(10-8-14)16(23)13-25-12-15-6-4-5-11-26-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 366.46 g/mol, XLogP of 0.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56710278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).