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

C18H32N4O — CID 91922313

IUPAC4-(methoxymethyl)-2-methyl-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(Cc1cnn(C(C)C)c1)CC2
InChIInChI=1S/C18H32N4O/c1-15(2)22-11-16(9-19-22)10-21-7-5-18(6-8-21)14-20(3)12-17(18)13-23-4/h9,11,15,17H,5-8,10,12-14H2,1-4H3
InChIKeyRVVJSKMKYMYDIH-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.25
Rot. Bonds5

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

4-(methoxymethyl)-2-methyl-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 91922313) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-methyl-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(methoxymethyl)-2-methyl-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID91922313
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name4-(methoxymethyl)-2-methyl-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(Cc1cnn(C(C)C)c1)CC2
InChIInChI=1S/C18H32N4O/c1-15(2)22-11-16(9-19-22)10-21-7-5-18(6-8-21)14-20(3)12-17(18)13-23-4/h9,11,15,17H,5-8,10,12-14H2,1-4H3
InChIKeyRVVJSKMKYMYDIH-UHFFFAOYSA-N
XLogP2.25
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-methyl-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(methoxymethyl)-2-methyl-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 91922313) is 4-(methoxymethyl)-2-methyl-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(methoxymethyl)-2-methyl-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(methoxymethyl)-2-methyl-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane is COCC1CN(C)CC12CCN(Cc1cnn(C(C)C)c1)CC2.
What is the InChIKey of 4-(methoxymethyl)-2-methyl-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is RVVJSKMKYMYDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-15(2)22-11-16(9-19-22)10-21-7-5-18(6-8-21)14-20(3)12-17(18)13-23-4/h9,11,15,17H,5-8,10,12-14H2,1-4H3.
What are the key properties of 4-(methoxymethyl)-2-methyl-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
4-(methoxymethyl)-2-methyl-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 320.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-methyl-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).