2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one

C19H27NO5 — CID 154564835

IUPAC2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)o1
InChIInChI=1S/C19H27NO5/c1-12(2)16-10-15(22)11-19(25-16)4-6-20(7-5-19)18(23)17-9-14(21)8-13(3)24-17/h8-9,12,15-16,22H,4-7,10-11H2,1-3H3/t15-,16-/m1/s1
InChIKeyWXBCUAMNDXFTBW-HZPDHXFCSA-N
MW349.43 g/mol
LogP2.12
Rot. Bonds2

About 2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one

2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one (PubChem CID 154564835) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one
PubChem CID154564835
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)o1
InChIInChI=1S/C19H27NO5/c1-12(2)16-10-15(22)11-19(25-16)4-6-20(7-5-19)18(23)17-9-14(21)8-13(3)24-17/h8-9,12,15-16,22H,4-7,10-11H2,1-3H3/t15-,16-/m1/s1
InChIKeyWXBCUAMNDXFTBW-HZPDHXFCSA-N
XLogP2.12
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 154567367
3-fluoro-4-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile
CID 154571771
(5R)-9-(6-methyl-4-oxopyran-2-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 99936720
1-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 154563682
[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 126741052
(2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154567287
2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one
CID 165425929
2-methyl-6-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]pyran-4-one
CID 118788868
2-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-6-methylpyran-4-one
CID 118780734
2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 154569215
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one
CID 77082199
(2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154566077

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one?
The IUPAC name of 2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one (CID 154564835) is 2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one.
What is the SMILES notation for 2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one?
The canonical SMILES for 2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one is Cc1cc(=O)cc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)o1.
What is the InChIKey of 2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one?
The InChIKey is WXBCUAMNDXFTBW-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H27NO5/c1-12(2)16-10-15(22)11-19(25-16)4-6-20(7-5-19)18(23)17-9-14(21)8-13(3)24-17/h8-9,12,15-16,22H,4-7,10-11H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of 2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one?
2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one has a molecular weight of 349.43 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one is sourced from PubChem (CID 154564835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).