2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C16H26N4O3 — CID 70722521

IUPAC2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(Cc1nnc(C)o1)CC2
InChIInChI=1S/C16H26N4O3/c1-13-17-18-14(23-13)11-19-7-5-16(6-8-19)4-3-15(21)20(12-16)9-10-22-2/h3-12H2,1-2H3
InChIKeyHEPRRILIZXOMRJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.23
Rot. Bonds5

About 2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70722521) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70722521
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(Cc1nnc(C)o1)CC2
InChIInChI=1S/C16H26N4O3/c1-13-17-18-14(23-13)11-19-7-5-16(6-8-19)4-3-15(21)20(12-16)9-10-22-2/h3-12H2,1-2H3
InChIKeyHEPRRILIZXOMRJ-UHFFFAOYSA-N
XLogP1.23
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70722521) is 2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(Cc1nnc(C)o1)CC2.
What is the InChIKey of 2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HEPRRILIZXOMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-13-17-18-14(23-13)11-19-7-5-16(6-8-19)4-3-15(21)20(12-16)9-10-22-2/h3-12H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 322.41 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70722521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).