4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C15H21N3O3 — CID 66783945

IUPAC4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCn1cc(N2CC3(CCNCC3)OCC2=O)ccc1=O
InChIInChI=1S/C15H21N3O3/c1-2-17-9-12(3-4-13(17)19)18-11-15(21-10-14(18)20)5-7-16-8-6-15/h3-4,9,16H,2,5-8,10-11H2,1H3
InChIKeyCQHWAXXAHHGJKJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.35
Rot. Bonds2

About 4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 66783945) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID66783945
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCn1cc(N2CC3(CCNCC3)OCC2=O)ccc1=O
InChIInChI=1S/C15H21N3O3/c1-2-17-9-12(3-4-13(17)19)18-11-15(21-10-14(18)20)5-7-16-8-6-15/h3-4,9,16H,2,5-8,10-11H2,1H3
InChIKeyCQHWAXXAHHGJKJ-UHFFFAOYSA-N
XLogP0.35
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 66783945) is 4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCn1cc(N2CC3(CCNCC3)OCC2=O)ccc1=O.
What is the InChIKey of 4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CQHWAXXAHHGJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-17-9-12(3-4-13(17)19)18-11-15(21-10-14(18)20)5-7-16-8-6-15/h3-4,9,16H,2,5-8,10-11H2,1H3.
What are the key properties of 4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 291.35 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-6-oxo-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 66783945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).