3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane

C19H31N3O — CID 118747241

IUPAC3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(Cc3ccncc3)CC2)CN1C(C)C
InChIInChI=1S/C19H31N3O/c1-16(2)22-15-19(12-18(22)14-23-3)6-10-21(11-7-19)13-17-4-8-20-9-5-17/h4-5,8-9,16,18H,6-7,10-15H2,1-3H3
InChIKeyUZMWVFRNMJCXGL-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.79
Rot. Bonds5

About 3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane

3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 118747241) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane
PubChem CID118747241
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(Cc3ccncc3)CC2)CN1C(C)C
InChIInChI=1S/C19H31N3O/c1-16(2)22-15-19(12-18(22)14-23-3)6-10-21(11-7-19)13-17-4-8-20-9-5-17/h4-5,8-9,16,18H,6-7,10-15H2,1-3H3
InChIKeyUZMWVFRNMJCXGL-UHFFFAOYSA-N
XLogP2.79
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 118747241) is 3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane is COCC1CC2(CCN(Cc3ccncc3)CC2)CN1C(C)C.
What is the InChIKey of 3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is UZMWVFRNMJCXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-16(2)22-15-19(12-18(22)14-23-3)6-10-21(11-7-19)13-17-4-8-20-9-5-17/h4-5,8-9,16,18H,6-7,10-15H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane?
3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 317.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 118747241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).