2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane

C28H38N2O2 — CID 167679402

IUPAC2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane
SMILESCc1cc(C2CCN(C3COC4(C3)CN(C)C4)CC2)c(OCc2ccccc2)c(C)c1C
InChIInChI=1S/C28H38N2O2/c1-20-14-26(27(22(3)21(20)2)31-16-23-8-6-5-7-9-23)24-10-12-30(13-11-24)25-15-28(32-17-25)18-29(4)19-28/h5-9,14,24-25H,10-13,15-19H2,1-4H3
InChIKeyKJUPURVZSBYRGG-UHFFFAOYSA-N
MW434.62 g/mol
LogP4.84
Rot. Bonds5

About 2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane

2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane (PubChem CID 167679402) has the molecular formula C28H38N2O2 and a molecular weight of 434.62 g/mol. Its IUPAC name is 2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane
PubChem CID167679402
Molecular FormulaC28H38N2O2
Molecular Weight434.62 g/mol
Exact Mass434.29
IUPAC Name2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane
SMILESCc1cc(C2CCN(C3COC4(C3)CN(C)C4)CC2)c(OCc2ccccc2)c(C)c1C
InChIInChI=1S/C28H38N2O2/c1-20-14-26(27(22(3)21(20)2)31-16-23-8-6-5-7-9-23)24-10-12-30(13-11-24)25-15-28(32-17-25)18-29(4)19-28/h5-9,14,24-25H,10-13,15-19H2,1-4H3
InChIKeyKJUPURVZSBYRGG-UHFFFAOYSA-N
XLogP4.84
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.62
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane 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

(7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane
CID 170384202
7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane
CID 167679399
2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol
CID 170384163
3-(4-methylpiperazin-1-yl)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decane
CID 134078972
(7S)-7-[4-(2-butoxy-5-fluorophenyl)piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane
CID 166512107
4-(2-methylphenyl)-1-phenylmethoxypiperidine
CID 57061277
(3R)-8-[(3,4-dimethylphenyl)methyl]-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97487653
(4S)-4-(3,5-dimethyl-4-phenylmethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187342
4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869436
1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene
CID 170000022
(2S)-2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydro-2H-chromene
CID 70422364
1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 74248786

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane (CID 167679402) is 2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane is Cc1cc(C2CCN(C3COC4(C3)CN(C)C4)CC2)c(OCc2ccccc2)c(C)c1C.
What is the InChIKey of 2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is KJUPURVZSBYRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O2/c1-20-14-26(27(22(3)21(20)2)31-16-23-8-6-5-7-9-23)24-10-12-30(13-11-24)25-15-28(32-17-25)18-29(4)19-28/h5-9,14,24-25H,10-13,15-19H2,1-4H3.
What are the key properties of 2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane?
2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 434.62 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 167679402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).