(5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one

C15H24N2O3 — CID 98895110

IUPAC(5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESO=C(C1CCOCC1)N1CCC[C@]2(CCNC2=O)CC1
InChIInChI=1S/C15H24N2O3/c18-13(12-2-10-20-11-3-12)17-8-1-4-15(6-9-17)5-7-16-14(15)19/h12H,1-11H2,(H,16,19)/t15-/m0/s1
InChIKeyVNIMOVTURFUYFE-HNNXBMFYSA-N
MW280.37 g/mol
LogP0.93
Rot. Bonds1

About (5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one

(5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one (PubChem CID 98895110) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one.

Molecular Properties

Compound Name(5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
PubChem CID98895110
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESO=C(C1CCOCC1)N1CCC[C@]2(CCNC2=O)CC1
InChIInChI=1S/C15H24N2O3/c18-13(12-2-10-20-11-3-12)17-8-1-4-15(6-9-17)5-7-16-14(15)19/h12H,1-11H2,(H,16,19)/t15-/m0/s1
InChIKeyVNIMOVTURFUYFE-HNNXBMFYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 98895826
(5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897609
(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120893
4-(oxane-4-carbonyl)-1,4-diazepan-2-one
CID 62896279
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
(5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25384072
9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131653156
3,3-dimethyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 63361975
9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131658395
4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493390
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone
CID 97399383
oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone
CID 175894730

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The IUPAC name of (5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one (CID 98895110) is (5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one.
What is the SMILES notation for (5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The canonical SMILES for (5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one is O=C(C1CCOCC1)N1CCC[C@]2(CCNC2=O)CC1.
What is the InChIKey of (5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The InChIKey is VNIMOVTURFUYFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-13(12-2-10-20-11-3-12)17-8-1-4-15(6-9-17)5-7-16-14(15)19/h12H,1-11H2,(H,16,19)/t15-/m0/s1.
What are the key properties of (5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
(5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one has a molecular weight of 280.37 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one is sourced from PubChem (CID 98895110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).