2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one

C18H26N2O5 — CID 154569215

IUPAC2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one
SMILESCC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)O1
InChIInChI=1S/C18H26N2O5/c1-3-13-8-12(21)10-18(25-13)4-6-20(7-5-18)17(23)14-9-15(22)16(24-2)11-19-14/h9,11-13,21H,3-8,10H2,1-2H3,(H,19,22)/t12-,13+/m1/s1
InChIKeySAWFNODHBVYHKJ-OLZOCXBDSA-N
MW350.42 g/mol
LogP1.31
Rot. Bonds3

About 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one

2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one (PubChem CID 154569215) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one
PubChem CID154569215
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one
SMILESCC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)O1
InChIInChI=1S/C18H26N2O5/c1-3-13-8-12(21)10-18(25-13)4-6-20(7-5-18)17(23)14-9-15(22)16(24-2)11-19-14/h9,11-13,21H,3-8,10H2,1-2H3,(H,19,22)/t12-,13+/m1/s1
InChIKeySAWFNODHBVYHKJ-OLZOCXBDSA-N
XLogP1.31
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 97134253
2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 155910877
5-methoxy-2-[2-(2-phenylethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 56873403
2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one
CID 125430948
5-methoxy-2-(2-phenylmorpholine-4-carbonyl)-1H-pyridin-4-one
CID 128963323
(3aR,7aS)-2-(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138384978
(2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154568041
(2S,4R)-2-ethyl-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154566933
5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 56860999
2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one
CID 154564835
[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 126741052
2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 95558043

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one (CID 154569215) is 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one is CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)O1.
What is the InChIKey of 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one?
The InChIKey is SAWFNODHBVYHKJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-3-13-8-12(21)10-18(25-13)4-6-20(7-5-18)17(23)14-9-15(22)16(24-2)11-19-14/h9,11-13,21H,3-8,10H2,1-2H3,(H,19,22)/t12-,13+/m1/s1.
What are the key properties of 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one?
2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one has a molecular weight of 350.42 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 154569215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).