2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane

C21H36N4O — CID 91922334

IUPAC2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C2CCC2)CC12CCN(Cc1cnn(C(C)C)c1)CC2
InChIInChI=1S/C21H36N4O/c1-17(2)25-13-18(11-22-25)12-23-9-7-21(8-10-23)16-24(20-5-4-6-20)14-19(21)15-26-3/h11,13,17,19-20H,4-10,12,14-16H2,1-3H3
InChIKeyINKBFXDLDPQYLF-UHFFFAOYSA-N
MW360.55 g/mol
LogP3.18
Rot. Bonds6

About 2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane

2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 91922334) has the molecular formula C21H36N4O and a molecular weight of 360.55 g/mol. Its IUPAC name is 2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID91922334
Molecular FormulaC21H36N4O
Molecular Weight360.55 g/mol
Exact Mass360.29
IUPAC Name2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C2CCC2)CC12CCN(Cc1cnn(C(C)C)c1)CC2
InChIInChI=1S/C21H36N4O/c1-17(2)25-13-18(11-22-25)12-23-9-7-21(8-10-23)16-24(20-5-4-6-20)14-19(21)15-26-3/h11,13,17,19-20H,4-10,12,14-16H2,1-3H3
InChIKeyINKBFXDLDPQYLF-UHFFFAOYSA-N
XLogP3.18
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 91922334) is 2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane is COCC1CN(C2CCC2)CC12CCN(Cc1cnn(C(C)C)c1)CC2.
What is the InChIKey of 2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is INKBFXDLDPQYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O/c1-17(2)25-13-18(11-22-25)12-23-9-7-21(8-10-23)16-24(20-5-4-6-20)14-19(21)15-26-3/h11,13,17,19-20H,4-10,12,14-16H2,1-3H3.
What are the key properties of 2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 360.55 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).