1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one

C18H26N2O4 — CID 72859044

IUPAC1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one
SMILESCCn1ccc(C(=O)N2CCC3(CC2)[C@H](O)C[C@]3(C)OC)cc1=O
InChIInChI=1S/C18H26N2O4/c1-4-19-8-5-13(11-15(19)22)16(23)20-9-6-18(7-10-20)14(21)12-17(18,2)24-3/h5,8,11,14,21H,4,6-7,9-10,12H2,1-3H3/t14-,17+/m1/s1
InChIKeyPELIQEUZIOQVMB-PBHICJAKSA-N
MW334.42 g/mol
LogP1.26
Rot. Bonds3

About 1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one

1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one (PubChem CID 72859044) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one
PubChem CID72859044
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one
SMILESCCn1ccc(C(=O)N2CCC3(CC2)[C@H](O)C[C@]3(C)OC)cc1=O
InChIInChI=1S/C18H26N2O4/c1-4-19-8-5-13(11-15(19)22)16(23)20-9-6-18(7-10-20)14(21)12-17(18,2)24-3/h5,8,11,14,21H,4,6-7,9-10,12H2,1-3H3/t14-,17+/m1/s1
InChIKeyPELIQEUZIOQVMB-PBHICJAKSA-N
XLogP1.26
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one with MolForge

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Related Compounds

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CID 138380813
4-(azocane-1-carbonyl)-1-ethylpyridin-2-one
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1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one
CID 138387519
4-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 95720033
1-ethyl-4-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridin-2-one
CID 72931976
1-ethyl-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyridin-2-one
CID 77085377
7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72902847
1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one
CID 96575454
4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 167804541
4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 72902347
(1R,5S)-3-(1-ethyl-2-oxopyridine-4-carbonyl)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133129653
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-1-methylpyridin-2-one
CID 107300658

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one?
The IUPAC name of 1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one (CID 72859044) is 1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one is CCn1ccc(C(=O)N2CCC3(CC2)[C@H](O)C[C@]3(C)OC)cc1=O.
What is the InChIKey of 1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one?
The InChIKey is PELIQEUZIOQVMB-PBHICJAKSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-19-8-5-13(11-15(19)22)16(23)20-9-6-18(7-10-20)14(21)12-17(18,2)24-3/h5,8,11,14,21H,4,6-7,9-10,12H2,1-3H3/t14-,17+/m1/s1.
What are the key properties of 1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one?
1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one has a molecular weight of 334.42 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one is sourced from PubChem (CID 72859044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).