3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C17H28N2O2 — CID 64887536

IUPAC3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)CCN1C(=O)C(C2CC2)NC(=O)C12CCCCC2
InChIInChI=1S/C17H28N2O2/c1-12(2)8-11-19-15(20)14(13-6-7-13)18-16(21)17(19)9-4-3-5-10-17/h12-14H,3-11H2,1-2H3,(H,18,21)
InChIKeyYYVQNGYVJFIQOV-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.47
Rot. Bonds4

About 3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64887536) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64887536
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)CCN1C(=O)C(C2CC2)NC(=O)C12CCCCC2
InChIInChI=1S/C17H28N2O2/c1-12(2)8-11-19-15(20)14(13-6-7-13)18-16(21)17(19)9-4-3-5-10-17/h12-14H,3-11H2,1-2H3,(H,18,21)
InChIKeyYYVQNGYVJFIQOV-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(cyclopropylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887362
8-cyclohexyl-6-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885846
8-cyclohexyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64878683
8-cyclopropyl-6-(4-methoxybutan-2-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 116500137
8-cyclopropyl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887356
6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885843
1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 83168970
1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874785
1-butyl-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64875303
6-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 80697288
3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872741
1,3-dipropyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872406

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64887536) is 3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CC(C)CCN1C(=O)C(C2CC2)NC(=O)C12CCCCC2.
What is the InChIKey of 3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is YYVQNGYVJFIQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)8-11-19-15(20)14(13-6-7-13)18-16(21)17(19)9-4-3-5-10-17/h12-14H,3-11H2,1-2H3,(H,18,21).
What are the key properties of 3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 292.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64887536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).