8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one

C15H22N4O3 — CID 118739600

IUPAC8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCC(=O)N1CCC2(CC1)CC(c1cnn(C)c1)C(=O)N2
InChIInChI=1S/C15H22N4O3/c1-18-9-11(8-16-18)12-7-15(17-14(12)21)3-5-19(6-4-15)13(20)10-22-2/h8-9,12H,3-7,10H2,1-2H3,(H,17,21)
InChIKeyOWZXELZEXDAAQY-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.03
Rot. Bonds3

About 8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one

8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118739600) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118739600
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCC(=O)N1CCC2(CC1)CC(c1cnn(C)c1)C(=O)N2
InChIInChI=1S/C15H22N4O3/c1-18-9-11(8-16-18)12-7-15(17-14(12)21)3-5-19(6-4-15)13(20)10-22-2/h8-9,12H,3-7,10H2,1-2H3,(H,17,21)
InChIKeyOWZXELZEXDAAQY-UHFFFAOYSA-N
XLogP0.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

rac-(4R,5S)-4-(aminomethyl)-1-(2-methoxyethyl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 122164147
8-(Cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118739336
N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide
CID 118739346
1-Methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118742342
8-(Cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744096
rac-(4R,5S)-4-(aminomethyl)-1-tert-butyl-5-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]pyrrolidin-2-one
CID 137951659
(4S,5R)-4-(aminomethyl)-1-(2-methoxyethyl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]pyrrolidin-2-one
CID 91662775
(3R,4S)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120930373
3-fluoro-N-[[(2S,3R)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 126826716
5-Amino-1-(2-methoxyethyl)-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 64071800
4-Amino-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 64072442
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 71880012

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (CID 118739600) is 8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is COCC(=O)N1CCC2(CC1)CC(c1cnn(C)c1)C(=O)N2.
What is the InChIKey of 8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OWZXELZEXDAAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-18-9-11(8-16-18)12-7-15(17-14(12)21)3-5-19(6-4-15)13(20)10-22-2/h8-9,12H,3-7,10H2,1-2H3,(H,17,21).
What are the key properties of 8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 306.37 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118739600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).