(3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane

C19H30N2O2 — CID 97476268

IUPAC(3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CC2(CCN(Cc3ccc(OC)cc3)CC2)CN1C
InChIInChI=1S/C19H30N2O2/c1-20-15-19(12-17(20)14-22-2)8-10-21(11-9-19)13-16-4-6-18(23-3)7-5-16/h4-7,17H,8-15H2,1-3H3/t17-/m1/s1
InChIKeySUEYMKVBDXJKTH-QGZVFWFLSA-N
MW318.46 g/mol
LogP2.63
Rot. Bonds5

About (3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane

(3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 97476268) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID97476268
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CC2(CCN(Cc3ccc(OC)cc3)CC2)CN1C
InChIInChI=1S/C19H30N2O2/c1-20-15-19(12-17(20)14-22-2)8-10-21(11-9-19)13-16-4-6-18(23-3)7-5-16/h4-7,17H,8-15H2,1-3H3/t17-/m1/s1
InChIKeySUEYMKVBDXJKTH-QGZVFWFLSA-N
XLogP2.63
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of (3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane (CID 97476268) is (3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane is COC[C@H]1CC2(CCN(Cc3ccc(OC)cc3)CC2)CN1C.
What is the InChIKey of (3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is SUEYMKVBDXJKTH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-20-15-19(12-17(20)14-22-2)8-10-21(11-9-19)13-16-4-6-18(23-3)7-5-16/h4-7,17H,8-15H2,1-3H3/t17-/m1/s1.
What are the key properties of (3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane?
(3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 318.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97476268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).