8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone

C13H16N2O8 — CID 141383560

IUPAC8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone
SMILESO=C1OC2(CC(=O)N([C@@H]3CCCNC3)C2=O)OC(=O)C(O)C1O
InChIInChI=1S/C13H16N2O8/c16-7-4-13(12(21)15(7)6-2-1-3-14-5-6)22-10(19)8(17)9(18)11(20)23-13/h6,8-9,14,17-18H,1-5H2/t6-,8?,9?,13?/m1/s1
InChIKeyMNAZUOAFCJNGMQ-UUQGGMIRSA-N
MW328.28 g/mol
LogP-2.98
Rot. Bonds1

About 8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone

8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone (PubChem CID 141383560) has the molecular formula C13H16N2O8 and a molecular weight of 328.28 g/mol. Its IUPAC name is 8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone.

Molecular Properties

Compound Name8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone
PubChem CID141383560
Molecular FormulaC13H16N2O8
Molecular Weight328.28 g/mol
Exact Mass328.09
IUPAC Name8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone
SMILESO=C1OC2(CC(=O)N([C@@H]3CCCNC3)C2=O)OC(=O)C(O)C1O
InChIInChI=1S/C13H16N2O8/c16-7-4-13(12(21)15(7)6-2-1-3-14-5-6)22-10(19)8(17)9(18)11(20)23-13/h6,8-9,14,17-18H,1-5H2/t6-,8?,9?,13?/m1/s1
InChIKeyMNAZUOAFCJNGMQ-UUQGGMIRSA-N
XLogP-2.98
TPSA142.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 5-2.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one
CID 129450905
2-piperidin-3-yloxazinan-3-one
CID 105441247
1-pyrrolidin-3-ylazepane-2,7-dione
CID 62329466
3-methyl-1-piperidin-3-ylpyrrole-2,5-dione
CID 63318859
2-piperidin-3-yl-6H-cyclohepta[c]pyrrole-1,3-dione
CID 123483046
5-cyclopropyl-2-piperidin-3-yl-1,2-oxazolidin-3-one
CID 105464231
6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one
CID 105450021
8-ethyl-3-piperidin-3-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 167995828
1-piperidin-3-yl-1,3-diazinane-2,4-dione
CID 75607085
2-cyclopropyl-1-piperidin-3-ylpyrazolidin-3-one
CID 105463278
3-piperidin-3-yl-1,3-oxazolidin-2-one;hydrochloride
CID 167727849
1-cyclopropyl-3-piperidin-3-ylimidazolidin-2-one;hydrochloride
CID 118115296

Frequently Asked Questions

What is the IUPAC name of 8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone?
The IUPAC name of 8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone (CID 141383560) is 8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone.
What is the SMILES notation for 8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone?
The canonical SMILES for 8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone is O=C1OC2(CC(=O)N([C@@H]3CCCNC3)C2=O)OC(=O)C(O)C1O.
What is the InChIKey of 8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone?
The InChIKey is MNAZUOAFCJNGMQ-UUQGGMIRSA-N. The full InChI is InChI=1S/C13H16N2O8/c16-7-4-13(12(21)15(7)6-2-1-3-14-5-6)22-10(19)8(17)9(18)11(20)23-13/h6,8-9,14,17-18H,1-5H2/t6-,8?,9?,13?/m1/s1.
What are the key properties of 8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone?
8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone has a molecular weight of 328.28 g/mol, XLogP of -2.98, 1 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydroxy-2-[(3R)-piperidin-3-yl]-6,11-dioxa-2-azaspiro[4.6]undecane-1,3,7,10-tetrone is sourced from PubChem (CID 141383560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).