2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C20H34N4O — CID 91922333

IUPAC2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C2CCC2)CC12CCN(Cc1c(C)n[nH]c1C)CC2
InChIInChI=1S/C20H34N4O/c1-15-19(16(2)22-21-15)12-23-9-7-20(8-10-23)14-24(18-5-4-6-18)11-17(20)13-25-3/h17-18H,4-14H2,1-3H3,(H,21,22)
InChIKeyINNSNXLJMGERLX-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.74
Rot. Bonds5

About 2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91922333) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91922333
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C2CCC2)CC12CCN(Cc1c(C)n[nH]c1C)CC2
InChIInChI=1S/C20H34N4O/c1-15-19(16(2)22-21-15)12-23-9-7-20(8-10-23)14-24(18-5-4-6-18)11-17(20)13-25-3/h17-18H,4-14H2,1-3H3,(H,21,22)
InChIKeyINNSNXLJMGERLX-UHFFFAOYSA-N
XLogP2.74
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91922333) is 2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(C2CCC2)CC12CCN(Cc1c(C)n[nH]c1C)CC2.
What is the InChIKey of 2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is INNSNXLJMGERLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-15-19(16(2)22-21-15)12-23-9-7-20(8-10-23)14-24(18-5-4-6-18)11-17(20)13-25-3/h17-18H,4-14H2,1-3H3,(H,21,22).
What are the key properties of 2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 346.52 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).