7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one

C15H26N2O3 — CID 45247653

IUPAC7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)C(C)C)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-12(2)13(18)17-8-6-15(11-17)5-4-7-16(14(15)19)9-10-20-3/h12H,4-11H2,1-3H3
InChIKeyKRBYVJQIRDZROK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.13
Rot. Bonds4

About 7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45247653) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45247653
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)C(C)C)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-12(2)13(18)17-8-6-15(11-17)5-4-7-16(14(15)19)9-10-20-3/h12H,4-11H2,1-3H3
InChIKeyKRBYVJQIRDZROK-UHFFFAOYSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45247653) is 7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(C(=O)C(C)C)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KRBYVJQIRDZROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(2)13(18)17-8-6-15(11-17)5-4-7-16(14(15)19)9-10-20-3/h12H,4-11H2,1-3H3.
What are the key properties of 7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 282.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45247653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).