2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C20H34N4O — CID 91922335

IUPAC2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C2CCC2)CC12CCN(Cc1cc(C)nn1C)CC2
InChIInChI=1S/C20H34N4O/c1-16-11-19(22(2)21-16)13-23-9-7-20(8-10-23)15-24(18-5-4-6-18)12-17(20)14-25-3/h11,17-18H,4-10,12-15H2,1-3H3
InChIKeyLUCMZNNCJBANBP-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.44
Rot. Bonds5

About 2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91922335) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91922335
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C2CCC2)CC12CCN(Cc1cc(C)nn1C)CC2
InChIInChI=1S/C20H34N4O/c1-16-11-19(22(2)21-16)13-23-9-7-20(8-10-23)15-24(18-5-4-6-18)12-17(20)14-25-3/h11,17-18H,4-10,12-15H2,1-3H3
InChIKeyLUCMZNNCJBANBP-UHFFFAOYSA-N
XLogP2.44
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91922335) is 2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(C2CCC2)CC12CCN(Cc1cc(C)nn1C)CC2.
What is the InChIKey of 2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is LUCMZNNCJBANBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-16-11-19(22(2)21-16)13-23-9-7-20(8-10-23)15-24(18-5-4-6-18)12-17(20)14-25-3/h11,17-18H,4-10,12-15H2,1-3H3.
What are the key properties of 2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 346.52 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).