2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone

C20H28N2O2 — CID 138033034

IUPAC2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)C3NCC34CCCC4)CC2)cc1
InChIInChI=1S/C20H28N2O2/c1-15-4-6-16(7-5-15)24-17-8-12-22(13-9-17)19(23)18-20(14-21-18)10-2-3-11-20/h4-7,17-18,21H,2-3,8-14H2,1H3
InChIKeyVVDKBIGAFXIHEO-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.90
Rot. Bonds3

About 2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone

2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone (PubChem CID 138033034) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone
PubChem CID138033034
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)C3NCC34CCCC4)CC2)cc1
InChIInChI=1S/C20H28N2O2/c1-15-4-6-16(7-5-15)24-17-8-12-22(13-9-17)19(23)18-20(14-21-18)10-2-3-11-20/h4-7,17-18,21H,2-3,8-14H2,1H3
InChIKeyVVDKBIGAFXIHEO-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone 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

(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 119292106
[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120622997
[4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone
CID 138050980
(2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 70711001
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174977791
2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110397098
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
[4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 70757931
4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The IUPAC name of 2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone (CID 138033034) is 2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for 2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)C3NCC34CCCC4)CC2)cc1.
What is the InChIKey of 2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The InChIKey is VVDKBIGAFXIHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-4-6-16(7-5-15)24-17-8-12-22(13-9-17)19(23)18-20(14-21-18)10-2-3-11-20/h4-7,17-18,21H,2-3,8-14H2,1H3.
What are the key properties of 2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone has a molecular weight of 328.46 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 138033034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).