9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane

C16H28N4O — CID 45244315

IUPAC9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCCC2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C16H28N4O/c1-18-11-15(10-17-18)12-20-7-5-16(14-20)4-3-6-19(13-16)8-9-21-2/h10-11H,3-9,12-14H2,1-2H3
InChIKeyGEJXDUSIVKBTNR-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.35
Rot. Bonds5

About 9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane

9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 45244315) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID45244315
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCCC2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C16H28N4O/c1-18-11-15(10-17-18)12-20-7-5-16(14-20)4-3-6-19(13-16)8-9-21-2/h10-11H,3-9,12-14H2,1-2H3
InChIKeyGEJXDUSIVKBTNR-UHFFFAOYSA-N
XLogP1.35
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane (CID 45244315) is 9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane is COCCN1CCCC2(CCN(Cc3cnn(C)c3)C2)C1.
What is the InChIKey of 9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is GEJXDUSIVKBTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-18-11-15(10-17-18)12-20-7-5-16(14-20)4-3-6-19(13-16)8-9-21-2/h10-11H,3-9,12-14H2,1-2H3.
What are the key properties of 9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 292.43 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45244315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).