1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one

C22H40N2O4 — CID 142365224

IUPAC1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one
SMILESCOC1CC(OC2CCN(C(=O)C(C)(C)C(C)(C)COC3CN(C)C3)CC2)C1
InChIInChI=1S/C22H40N2O4/c1-21(2,15-27-19-13-23(5)14-19)22(3,4)20(25)24-9-7-16(8-10-24)28-18-11-17(12-18)26-6/h16-19H,7-15H2,1-6H3
InChIKeyFOEQMEJZVUNOPH-UHFFFAOYSA-N
MW396.57 g/mol
LogP2.55
Rot. Bonds8

About 1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one

1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one (PubChem CID 142365224) has the molecular formula C22H40N2O4 and a molecular weight of 396.57 g/mol. Its IUPAC name is 1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one.

Molecular Properties

Compound Name1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one
PubChem CID142365224
Molecular FormulaC22H40N2O4
Molecular Weight396.57 g/mol
Exact Mass396.30
IUPAC Name1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one
SMILESCOC1CC(OC2CCN(C(=O)C(C)(C)C(C)(C)COC3CN(C)C3)CC2)C1
InChIInChI=1S/C22H40N2O4/c1-21(2,15-27-19-13-23(5)14-19)22(3,4)20(25)24-9-7-16(8-10-24)28-18-11-17(12-18)26-6/h16-19H,7-15H2,1-6H3
InChIKeyFOEQMEJZVUNOPH-UHFFFAOYSA-N
XLogP2.55
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one with MolForge

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Related Compounds

ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane
CID 142368331
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
4-(3-methoxypyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 103531279
4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine
CID 153330246
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one
CID 103531981
4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65297955
2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
CID 166537028
4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one
CID 140908004
1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 118084446
tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate
CID 176576765
1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 91916307

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one?
The IUPAC name of 1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one (CID 142365224) is 1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one.
What is the SMILES notation for 1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one?
The canonical SMILES for 1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one is COC1CC(OC2CCN(C(=O)C(C)(C)C(C)(C)COC3CN(C)C3)CC2)C1.
What is the InChIKey of 1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one?
The InChIKey is FOEQMEJZVUNOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O4/c1-21(2,15-27-19-13-23(5)14-19)22(3,4)20(25)24-9-7-16(8-10-24)28-18-11-17(12-18)26-6/h16-19H,7-15H2,1-6H3.
What are the key properties of 1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one?
1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one has a molecular weight of 396.57 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one is sourced from PubChem (CID 142365224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).