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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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).