2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone

C16H26N4O2 — CID 118740926

IUPAC2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC(=O)N1CCC2(CCCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C16H26N4O2/c1-18-9-14(8-17-18)10-19-6-3-4-16(12-19)5-7-20(13-16)15(21)11-22-2/h8-9H,3-7,10-13H2,1-2H3
InChIKeyUGXKQMRHCLYDBF-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.88
Rot. Bonds4

About 2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone

2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 118740926) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID118740926
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC(=O)N1CCC2(CCCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C16H26N4O2/c1-18-9-14(8-17-18)10-19-6-3-4-16(12-19)5-7-20(13-16)15(21)11-22-2/h8-9H,3-7,10-13H2,1-2H3
InChIKeyUGXKQMRHCLYDBF-UHFFFAOYSA-N
XLogP0.88
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 72859718
1-[1-[(1-Methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97493667
N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 118745374
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide dihydrochloride
CID 56884099
2-(3-methoxypropyl)-8-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72851928
N-{7-[(1-Ethyl-1H-pyrazol-4-YL)methyl]-7-azaspiro[3.5]nonan-1-YL}-2-methoxyacetamide
CID 124045343
8-[(1-Ethyl-1H-pyrazol-4-YL)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
CID 124075213
2-(2-methoxyethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72905510
5-Methyl-9-[(1-methylpyrazol-4-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131641888
2-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylacetamide
CID 128990564
(5S)-7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 129540262
(5R)-7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 129540263

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone (CID 118740926) is 2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone is COCC(=O)N1CCC2(CCCN(Cc3cnn(C)c3)C2)C1.
What is the InChIKey of 2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is UGXKQMRHCLYDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18-9-14(8-17-18)10-19-6-3-4-16(12-19)5-7-20(13-16)15(21)11-22-2/h8-9H,3-7,10-13H2,1-2H3.
What are the key properties of 2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 306.41 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 118740926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).