9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one

C14H22N2O3 — CID 98895826

IUPAC9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C([C@H]1CCOC1)N1CCC2(CCCNC2=O)CC1
InChIInChI=1S/C14H22N2O3/c17-12(11-2-9-19-10-11)16-7-4-14(5-8-16)3-1-6-15-13(14)18/h11H,1-10H2,(H,15,18)/t11-/m0/s1
InChIKeyOFMAGGOJNTUBNR-NSHDSACASA-N
MW266.34 g/mol
LogP0.54
Rot. Bonds1

About 9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one

9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 98895826) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID98895826
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C([C@H]1CCOC1)N1CCC2(CCCNC2=O)CC1
InChIInChI=1S/C14H22N2O3/c17-12(11-2-9-19-10-11)16-7-4-14(5-8-16)3-1-6-15-13(14)18/h11H,1-10H2,(H,15,18)/t11-/m0/s1
InChIKeyOFMAGGOJNTUBNR-NSHDSACASA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895110
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896688
(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane
CID 144942244
oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 131641140
(4R)-8-[(3R)-oxolane-3-carbonyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470037
2-(cyclopropylmethyl)-8-(oxolane-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155872829
(5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897609
4-(oxane-4-carbonyl)-1,4-diazepan-2-one
CID 62896279
cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 97117469
(4S)-8-[(3R)-oxolane-3-carbonyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391774
(4S)-8-[(3S)-oxolane-3-carbonyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391776
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 96500717

Frequently Asked Questions

What is the IUPAC name of 9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one (CID 98895826) is 9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one is O=C([C@H]1CCOC1)N1CCC2(CCCNC2=O)CC1.
What is the InChIKey of 9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is OFMAGGOJNTUBNR-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3/c17-12(11-2-9-19-10-11)16-7-4-14(5-8-16)3-1-6-15-13(14)18/h11H,1-10H2,(H,15,18)/t11-/m0/s1.
What are the key properties of 9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one?
9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 266.34 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 98895826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).