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

C16H26N4O2 — CID 134074658

IUPAC1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CC(c2cnn(C)c2)C12CCN(C)CC2
InChIInChI=1S/C16H26N4O2/c1-18-6-4-16(5-7-18)14(13-11-17-19(2)12-13)10-15(21)20(16)8-9-22-3/h11-12,14H,4-10H2,1-3H3
InChIKeyXMFVAODVDVKPCM-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.85
Rot. Bonds4

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

1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 134074658) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID134074658
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CC(c2cnn(C)c2)C12CCN(C)CC2
InChIInChI=1S/C16H26N4O2/c1-18-6-4-16(5-7-18)14(13-11-17-19(2)12-13)10-15(21)20(16)8-9-22-3/h11-12,14H,4-10H2,1-3H3
InChIKeyXMFVAODVDVKPCM-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97384134
(4R)-1-methyl-4-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97469911
8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 131646598
(4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97384138
(4R)-1-methyl-4-(1-methylpyrazol-4-yl)-8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469913
8-[(4-methoxyphenyl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155842126
4-imino-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)imidazolidin-2-one
CID 138390235
(4R)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391811
(3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383971
4-cyclopropyl-1-(2-methoxyethyl)pyrazole
CID 170573805
8-[1-(2-methoxyethyl)pyrazol-4-yl]-8-azabicyclo[3.2.1]octan-3-one
CID 62740150
(4R,5S)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]pyrrolidin-2-one
CID 138033696

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (CID 134074658) is 1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is COCCN1C(=O)CC(c2cnn(C)c2)C12CCN(C)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is XMFVAODVDVKPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18-6-4-16(5-7-18)14(13-11-17-19(2)12-13)10-15(21)20(16)8-9-22-3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 306.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134074658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).