(8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane

C19H27N3O — CID 124817158

IUPAC(8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
SMILESCOC[C@@H]1CCN(C)C2(C1)CN(Cc1cccc3[nH]ccc13)C2
InChIInChI=1S/C19H27N3O/c1-21-9-7-15(12-23-2)10-19(21)13-22(14-19)11-16-4-3-5-18-17(16)6-8-20-18/h3-6,8,15,20H,7,9-14H2,1-2H3/t15-/m1/s1
InChIKeyKLIRODOINUSJPX-OAHLLOKOSA-N
MW313.44 g/mol
LogP2.71
Rot. Bonds4

About (8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane

(8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane (PubChem CID 124817158) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is (8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
PubChem CID124817158
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name(8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
SMILESCOC[C@@H]1CCN(C)C2(C1)CN(Cc1cccc3[nH]ccc13)C2
InChIInChI=1S/C19H27N3O/c1-21-9-7-15(12-23-2)10-19(21)13-22(14-19)11-16-4-3-5-18-17(16)6-8-20-18/h3-6,8,15,20H,7,9-14H2,1-2H3/t15-/m1/s1
InChIKeyKLIRODOINUSJPX-OAHLLOKOSA-N
XLogP2.71
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155842720
2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline
CID 131671702
(8S)-2-(1,3-benzodioxol-5-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 124814715
N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 63378381
1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine
CID 131648468
(8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124812614
4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride
CID 134690852
(5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124798405
1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one
CID 124814884
(3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol
CID 164629277
3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 124818818
N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63002106

Frequently Asked Questions

What is the IUPAC name of (8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane?
The IUPAC name of (8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane (CID 124817158) is (8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane.
What is the SMILES notation for (8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane?
The canonical SMILES for (8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane is COC[C@@H]1CCN(C)C2(C1)CN(Cc1cccc3[nH]ccc13)C2.
What is the InChIKey of (8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane?
The InChIKey is KLIRODOINUSJPX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O/c1-21-9-7-15(12-23-2)10-19(21)13-22(14-19)11-16-4-3-5-18-17(16)6-8-20-18/h3-6,8,15,20H,7,9-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane?
(8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane has a molecular weight of 313.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane is sourced from PubChem (CID 124817158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).