1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

C18H27N3O3 — CID 164693700

IUPAC1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCO[C@@H]1CCC[C@@]12CCCN(C(=O)Cn1c(C)cc(C)nc1=O)C2
InChIInChI=1S/C18H27N3O3/c1-13-10-14(2)21(17(23)19-13)11-16(22)20-9-5-8-18(12-20)7-4-6-15(18)24-3/h10,15H,4-9,11-12H2,1-3H3/t15-,18+/m1/s1
InChIKeyJDNUTJXWLBXUEQ-QAPCUYQASA-N
MW333.43 g/mol
LogP1.67
Rot. Bonds3

About 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 164693700) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID164693700
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCO[C@@H]1CCC[C@@]12CCCN(C(=O)Cn1c(C)cc(C)nc1=O)C2
InChIInChI=1S/C18H27N3O3/c1-13-10-14(2)21(17(23)19-13)11-16(22)20-9-5-8-18(12-20)7-4-6-15(18)24-3/h10,15H,4-9,11-12H2,1-3H3/t15-,18+/m1/s1
InChIKeyJDNUTJXWLBXUEQ-QAPCUYQASA-N
XLogP1.67
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 164695123
1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 86283168
[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 164698009
formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 166599051
1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 135105492
2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 164698084
[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 164690656
formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone
CID 154917887
4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methyl-1H-pyridin-2-one
CID 164696636
4,6-dimethyl-1-[2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 96575377
2-(1H-benzimidazol-2-ylmethoxy)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 164695031
1-[2-[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 165418526

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (CID 164693700) is 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is CO[C@@H]1CCC[C@@]12CCCN(C(=O)Cn1c(C)cc(C)nc1=O)C2.
What is the InChIKey of 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is JDNUTJXWLBXUEQ-QAPCUYQASA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-10-14(2)21(17(23)19-13)11-16(22)20-9-5-8-18(12-20)7-4-6-15(18)24-3/h10,15H,4-9,11-12H2,1-3H3/t15-,18+/m1/s1.
What are the key properties of 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 333.43 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 164693700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).