8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C20H32N4O3 — CID 46982807

IUPAC8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCN1CC(C(=O)N2CCC3(CC2)N=C(CCC(C)C)NC3=O)CCC1=O
InChIInChI=1S/C20H32N4O3/c1-4-23-13-15(6-8-17(23)25)18(26)24-11-9-20(10-12-24)19(27)21-16(22-20)7-5-14(2)3/h14-15H,4-13H2,1-3H3,(H,21,22,27)
InChIKeyIGKCZISPOUIGCN-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.57
Rot. Bonds5

About 8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 46982807) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID46982807
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCN1CC(C(=O)N2CCC3(CC2)N=C(CCC(C)C)NC3=O)CCC1=O
InChIInChI=1S/C20H32N4O3/c1-4-23-13-15(6-8-17(23)25)18(26)24-11-9-20(10-12-24)19(27)21-16(22-20)7-5-14(2)3/h14-15H,4-13H2,1-3H3,(H,21,22,27)
InChIKeyIGKCZISPOUIGCN-UHFFFAOYSA-N
XLogP1.57
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-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

Related Compounds

2-(3-Methylbutyl)-8-[(2-oxopyrrolidin-1-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46991451
2-(3-Methylbutyl)-8-(4-oxopentanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46992235
2-(3-Methylbutyl)-8-[(4-methylpiperazin-1-yl)carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46999670
2-(3-Methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46985749
1-[3-[[3,3-diamino-2-(1-ethyl-5-fluoro-3-methyl-5,6-dihydro-4H-pyrimidin-3-ium-2-yl)propanoyl]amino]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 124009483
2-Butyl-3-ethyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one;2-butyl-3-ethyl-8-(4,4,4-trifluorobutanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
CID 170592506
N-{1-[(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)carbonyl]-2-methylpropyl}acetamide
CID 46982582
1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide
CID 24994479
2-Methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 59279744
Tert-butyl 4-(4-oxo-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate
CID 59373387
Tert-butyl 4-(2-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate
CID 59373410
2-Methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride
CID 68664933

Frequently Asked Questions

What is the IUPAC name of 8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 46982807) is 8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCN1CC(C(=O)N2CCC3(CC2)N=C(CCC(C)C)NC3=O)CCC1=O.
What is the InChIKey of 8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is IGKCZISPOUIGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-4-23-13-15(6-8-17(23)25)18(26)24-11-9-20(10-12-24)19(27)21-16(22-20)7-5-14(2)3/h14-15H,4-13H2,1-3H3,(H,21,22,27).
What are the key properties of 8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 376.50 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethyl-6-oxopiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 46982807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).