6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide

C16H24N6O3 — CID 131655066

IUPAC6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide
SMILESCC(=O)N1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)N(C)C)C2
InChIInChI=1S/C16H24N6O3/c1-12(23)22-9-14(24)21(13-7-17-19(4)8-13)11-16(22)5-6-20(10-16)15(25)18(2)3/h7-8H,5-6,9-11H2,1-4H3
InChIKeyZXICXSALHKWCSJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP-0.26
Rot. Bonds1

About 6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide

6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide (PubChem CID 131655066) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide
PubChem CID131655066
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide
SMILESCC(=O)N1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)N(C)C)C2
InChIInChI=1S/C16H24N6O3/c1-12(23)22-9-14(24)21(13-7-17-19(4)8-13)11-16(22)5-6-20(10-16)15(25)18(2)3/h7-8H,5-6,9-11H2,1-4H3
InChIKeyZXICXSALHKWCSJ-UHFFFAOYSA-N
XLogP-0.26
TPSA81.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide (CID 131655066) is 6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide is CC(=O)N1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)N(C)C)C2.
What is the InChIKey of 6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The InChIKey is ZXICXSALHKWCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-12(23)22-9-14(24)21(13-7-17-19(4)8-13)11-16(22)5-6-20(10-16)15(25)18(2)3/h7-8H,5-6,9-11H2,1-4H3.
What are the key properties of 6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 131655066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).