2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane

C21H26N2O2 — CID 131653736

IUPAC2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCc1ccccc1CN1CC2(C1)OCCC2COCc1ccncc1
InChIInChI=1S/C21H26N2O2/c1-17-4-2-3-5-19(17)12-23-15-21(16-23)20(8-11-25-21)14-24-13-18-6-9-22-10-7-18/h2-7,9-10,20H,8,11-16H2,1H3
InChIKeyBFPODVMZNURSTM-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.20
Rot. Bonds6

About 2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane

2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 131653736) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID131653736
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCc1ccccc1CN1CC2(C1)OCCC2COCc1ccncc1
InChIInChI=1S/C21H26N2O2/c1-17-4-2-3-5-19(17)12-23-15-21(16-23)20(8-11-25-21)14-24-13-18-6-9-22-10-7-18/h2-7,9-10,20H,8,11-16H2,1H3
InChIKeyBFPODVMZNURSTM-UHFFFAOYSA-N
XLogP3.20
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane with MolForge

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131662173
2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 133139489
2-[(4-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155832965
(8S)-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124796490
(8S)-2-[(2-methoxyphenyl)methyl]-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124817074
N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide
CID 124820925
(2-methylfuran-3-yl)-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124810284
(8S)-8-[2-(pyridin-4-ylmethoxy)ethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124790929
(8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124870220
(8S)-2-[(4-methoxyphenyl)methyl]-8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124794176
(5-methyl-1,2-oxazol-3-yl)-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124893169
(8R)-2-(pyridin-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124789845

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane (CID 131653736) is 2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane is Cc1ccccc1CN1CC2(C1)OCCC2COCc1ccncc1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is BFPODVMZNURSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17-4-2-3-5-19(17)12-23-15-21(16-23)20(8-11-25-21)14-24-13-18-6-9-22-10-7-18/h2-7,9-10,20H,8,11-16H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 338.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 131653736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).