1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one

C16H28N2O — CID 23109360

IUPAC1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCCCCN1C(=O)C(CC(C)C)=CC12CCNCC2
InChIInChI=1S/C16H28N2O/c1-4-5-10-18-15(19)14(11-13(2)3)12-16(18)6-8-17-9-7-16/h12-13,17H,4-11H2,1-3H3
InChIKeyWSURIHHXPUYLCG-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.72
Rot. Bonds5

About 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one

1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 23109360) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
PubChem CID23109360
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCCCCN1C(=O)C(CC(C)C)=CC12CCNCC2
InChIInChI=1S/C16H28N2O/c1-4-5-10-18-15(19)14(11-13(2)3)12-16(18)6-8-17-9-7-16/h12-13,17H,4-11H2,1-3H3
InChIKeyWSURIHHXPUYLCG-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1'-(cyclopent-1-en-1-ylcarbonyl)-N-isopropyl-1,4'-bipiperidine-4-carboxamide
CID 16190945
3-[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-N-cyclopropylpropanamide
CID 25446369
N-ethyl-1-(2-methylpent-2-enoyl)piperidine-4-carboxamide
CID 72155674
N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide
CID 128443136
1-[(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)carbonyl]piperidine
CID 4053223
3-[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-N-(2-methoxyethyl)propanamide
CID 25459606
N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide
CID 47043971
1-Butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride
CID 23109359
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide
CID 91128303
4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide
CID 123451490
3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one
CID 123704288
(3Z)-3-(cyclopentylmethylidene)piperidin-2-one
CID 124159550

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one (CID 23109360) is 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one is CCCCN1C(=O)C(CC(C)C)=CC12CCNCC2.
What is the InChIKey of 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is WSURIHHXPUYLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-5-10-18-15(19)14(11-13(2)3)12-16(18)6-8-17-9-7-16/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 264.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 23109360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).