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

C17H30N4O — CID 91922304

IUPAC4-(methoxymethyl)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2cnn(C(C)C)c2)CC12CCNCC2
InChIInChI=1S/C17H30N4O/c1-14(2)21-10-15(8-19-21)9-20-11-16(12-22-3)17(13-20)4-6-18-7-5-17/h8,10,14,16,18H,4-7,9,11-13H2,1-3H3
InChIKeyVGHCWEPXNYPOAT-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.91
Rot. Bonds5

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

4-(methoxymethyl)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 91922304) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID91922304
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name4-(methoxymethyl)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2cnn(C(C)C)c2)CC12CCNCC2
InChIInChI=1S/C17H30N4O/c1-14(2)21-10-15(8-19-21)9-20-11-16(12-22-3)17(13-20)4-6-18-7-5-17/h8,10,14,16,18H,4-7,9,11-13H2,1-3H3
InChIKeyVGHCWEPXNYPOAT-UHFFFAOYSA-N
XLogP1.91
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(methoxymethyl)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 91922304) is 4-(methoxymethyl)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(methoxymethyl)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(methoxymethyl)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane is COCC1CN(Cc2cnn(C(C)C)c2)CC12CCNCC2.
What is the InChIKey of 4-(methoxymethyl)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is VGHCWEPXNYPOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14(2)21-10-15(8-19-21)9-20-11-16(12-22-3)17(13-20)4-6-18-7-5-17/h8,10,14,16,18H,4-7,9,11-13H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane?
4-(methoxymethyl)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 306.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).