2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C20H32N4O3 — CID 46985749

IUPAC2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)CCC1=NC2(CCN(C(=O)CCN3CCCCC3=O)CC2)C(=O)N1
InChIInChI=1S/C20H32N4O3/c1-15(2)6-7-16-21-19(27)20(22-16)9-13-24(14-10-20)18(26)8-12-23-11-4-3-5-17(23)25/h15H,3-14H2,1-2H3,(H,21,22,27)
InChIKeyBNLCBIYKWMKWNV-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.71
Rot. Bonds6

About 2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 46985749) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID46985749
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)CCC1=NC2(CCN(C(=O)CCN3CCCCC3=O)CC2)C(=O)N1
InChIInChI=1S/C20H32N4O3/c1-15(2)6-7-16-21-19(27)20(22-16)9-13-24(14-10-20)18(26)8-12-23-11-4-3-5-17(23)25/h15H,3-14H2,1-2H3,(H,21,22,27)
InChIKeyBNLCBIYKWMKWNV-UHFFFAOYSA-N
XLogP1.71
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one 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 2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 46985749) is 2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC(C)CCC1=NC2(CCN(C(=O)CCN3CCCCC3=O)CC2)C(=O)N1.
What is the InChIKey of 2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is BNLCBIYKWMKWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-15(2)6-7-16-21-19(27)20(22-16)9-13-24(14-10-20)18(26)8-12-23-11-4-3-5-17(23)25/h15H,3-14H2,1-2H3,(H,21,22,27).
What are the key properties of 2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 376.50 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 46985749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).