9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C21H23N3O5 — CID 162634339

IUPAC9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C21H23N3O5/c1-23-11-8-16(25)18(28-12-15-6-3-2-4-7-15)17(23)19(26)24-10-5-9-21(14-24)13-22-20(27)29-21/h2-4,6-8,11H,5,9-10,12-14H2,1H3,(H,22,27)
InChIKeyAXEKLVKKSNCSPJ-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.68
Rot. Bonds4

About 9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 162634339) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID162634339
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C21H23N3O5/c1-23-11-8-16(25)18(28-12-15-6-3-2-4-7-15)17(23)19(26)24-10-5-9-21(14-24)13-22-20(27)29-21/h2-4,6-8,11H,5,9-10,12-14H2,1H3,(H,22,27)
InChIKeyAXEKLVKKSNCSPJ-UHFFFAOYSA-N
XLogP1.68
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 162634339) is 9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCCC2(CNC(=O)O2)C1.
What is the InChIKey of 9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is AXEKLVKKSNCSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-23-11-8-16(25)18(28-12-15-6-3-2-4-7-15)17(23)19(26)24-10-5-9-21(14-24)13-22-20(27)29-21/h2-4,6-8,11H,5,9-10,12-14H2,1H3,(H,22,27).
What are the key properties of 9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 397.43 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 162634339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).