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

C21H36N4O2 — CID 46986310

IUPAC8-(1-ethyl-3-methylpiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCN1CCCC(C)(C(=O)N2CCC3(CC2)N=C(CCC(C)C)NC3=O)C1
InChIInChI=1S/C21H36N4O2/c1-5-24-12-6-9-20(4,15-24)19(27)25-13-10-21(11-14-25)18(26)22-17(23-21)8-7-16(2)3/h16H,5-15H2,1-4H3,(H,22,23,26)
InChIKeyYZUYTGDTEWXNKR-UHFFFAOYSA-N
MW376.55 g/mol
LogP2.43
Rot. Bonds5

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

8-(1-ethyl-3-methylpiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 46986310) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 8-(1-ethyl-3-methylpiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-(1-ethyl-3-methylpiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID46986310
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name8-(1-ethyl-3-methylpiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCN1CCCC(C)(C(=O)N2CCC3(CC2)N=C(CCC(C)C)NC3=O)C1
InChIInChI=1S/C21H36N4O2/c1-5-24-12-6-9-20(4,15-24)19(27)25-13-10-21(11-14-25)18(26)22-17(23-21)8-7-16(2)3/h16H,5-15H2,1-4H3,(H,22,23,26)
InChIKeyYZUYTGDTEWXNKR-UHFFFAOYSA-N
XLogP2.43
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-chloro-5-fluorobenzoyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46982611
8-(2,2-dimethyloxane-4-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 50954841
[(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 126435090
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
(1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 46984877
N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 50965222
tert-butyl 4-oxo-2-(9,9,9-trifluorononyl)-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 70933419
benzyl 2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 170353572
(3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide
CID 126445765
(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide
CID 136861426
(3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide
CID 126439584
1-(2,2-difluoroethyl)-3-methylpiperidine-3-carboxylic acid
CID 63137075

Frequently Asked Questions

What is the IUPAC name of 8-(1-ethyl-3-methylpiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-(1-ethyl-3-methylpiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 46986310) is 8-(1-ethyl-3-methylpiperidine-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-3-methylpiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-(1-ethyl-3-methylpiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCN1CCCC(C)(C(=O)N2CCC3(CC2)N=C(CCC(C)C)NC3=O)C1.
What is the InChIKey of 8-(1-ethyl-3-methylpiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is YZUYTGDTEWXNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-5-24-12-6-9-20(4,15-24)19(27)25-13-10-21(11-14-25)18(26)22-17(23-21)8-7-16(2)3/h16H,5-15H2,1-4H3,(H,22,23,26).
What are the key properties of 8-(1-ethyl-3-methylpiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-(1-ethyl-3-methylpiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 376.55 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethyl-3-methylpiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 46986310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).