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

C22H34N2O — CID 170384202

IUPAC(7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane
SMILESCc1cc(C2CCN([C@@H]3COC4(C3)CN(C)C4)CC2)c(C)c(C)c1C
InChIInChI=1S/C22H34N2O/c1-15-10-21(18(4)17(3)16(15)2)19-6-8-24(9-7-19)20-11-22(25-12-20)13-23(5)14-22/h10,19-20H,6-9,11-14H2,1-5H3/t20-/m0/s1
InChIKeyBYYXLTLNOMTACM-FQEVSTJZSA-N
MW342.53 g/mol
LogP3.57
Rot. Bonds2

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

(7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane (PubChem CID 170384202) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is (7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane
PubChem CID170384202
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name(7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane
SMILESCc1cc(C2CCN([C@@H]3COC4(C3)CN(C)C4)CC2)c(C)c(C)c1C
InChIInChI=1S/C22H34N2O/c1-15-10-21(18(4)17(3)16(15)2)19-6-8-24(9-7-19)20-11-22(25-12-20)13-23(5)14-22/h10,19-20H,6-9,11-14H2,1-5H3/t20-/m0/s1
InChIKeyBYYXLTLNOMTACM-FQEVSTJZSA-N
XLogP3.57
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)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

2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane
CID 167679402
2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol
CID 170384163
7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane
CID 167679399
tert-butyl (7S)-7-[4-[3,4,5-trimethyl-2-[(E)-oxolan-3-ylidenemethyl]phenyl]piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 170384192
3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol
CID 170000068
(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
(3R)-8-[(3,4-dimethylphenyl)methyl]-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97487653
[5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine
CID 155469053
3-(4-methylpiperazin-1-yl)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decane
CID 134078972
2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane
CID 170728203
2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
CID 155238981
3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane
CID 131641802

Frequently Asked Questions

What is the IUPAC name of (7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane (CID 170384202) is (7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane is Cc1cc(C2CCN([C@@H]3COC4(C3)CN(C)C4)CC2)c(C)c(C)c1C.
What is the InChIKey of (7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is BYYXLTLNOMTACM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H34N2O/c1-15-10-21(18(4)17(3)16(15)2)19-6-8-24(9-7-19)20-11-22(25-12-20)13-23(5)14-22/h10,19-20H,6-9,11-14H2,1-5H3/t20-/m0/s1.
What are the key properties of (7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane?
(7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 342.53 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 170384202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).