1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H26N4O4 — CID 72905356

IUPAC1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1nn(CC(=O)N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)c(C)c1C
InChIInChI=1S/C18H26N4O4/c1-11-12(2)19-22(13(11)3)10-16(24)21-7-5-18(6-8-21)14(17(25)26)9-15(23)20(18)4/h14H,5-10H2,1-4H3,(H,25,26)
InChIKeyJIYDYXCCVNQQSD-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.73
Rot. Bonds3

About 1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72905356) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72905356
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1nn(CC(=O)N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)c(C)c1C
InChIInChI=1S/C18H26N4O4/c1-11-12(2)19-22(13(11)3)10-16(24)21-7-5-18(6-8-21)14(17(25)26)9-15(23)20(18)4/h14H,5-10H2,1-4H3,(H,25,26)
InChIKeyJIYDYXCCVNQQSD-UHFFFAOYSA-N
XLogP0.73
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72905356) is 1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1nn(CC(=O)N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)c(C)c1C.
What is the InChIKey of 1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is JIYDYXCCVNQQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-11-12(2)19-22(13(11)3)10-16(24)21-7-5-18(6-8-21)14(17(25)26)9-15(23)20(18)4/h14H,5-10H2,1-4H3,(H,25,26).
What are the key properties of 1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72905356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).