2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H29N3O4 — CID 70775767

IUPAC2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(Cc3cc(=O)c(OC)c[nH]3)C2)CCC1=O
InChIInChI=1S/C19H29N3O4/c1-25-9-8-22-14-19(6-4-18(22)24)5-3-7-21(13-19)12-15-10-16(23)17(26-2)11-20-15/h10-11H,3-9,12-14H2,1-2H3,(H,20,23)
InChIKeyDOYSYSRKGMQVNF-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.23
Rot. Bonds6

About 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70775767) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70775767
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(Cc3cc(=O)c(OC)c[nH]3)C2)CCC1=O
InChIInChI=1S/C19H29N3O4/c1-25-9-8-22-14-19(6-4-18(22)24)5-3-7-21(13-19)12-15-10-16(23)17(26-2)11-20-15/h10-11H,3-9,12-14H2,1-2H3,(H,20,23)
InChIKeyDOYSYSRKGMQVNF-UHFFFAOYSA-N
XLogP1.23
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70775767) is 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCCN(Cc3cc(=O)c(OC)c[nH]3)C2)CCC1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is DOYSYSRKGMQVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-25-9-8-22-14-19(6-4-18(22)24)5-3-7-21(13-19)12-15-10-16(23)17(26-2)11-20-15/h10-11H,3-9,12-14H2,1-2H3,(H,20,23).
What are the key properties of 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 363.46 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70775767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).