5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one

C24H46N2O3 — CID 146520234

IUPAC5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one
SMILESCCC(C)(C)OCCCCC(=O)N1CCC(N(C)C2CC(OC(C)(C)C)C2)CC1
InChIInChI=1S/C24H46N2O3/c1-8-24(5,6)28-16-10-9-11-22(27)26-14-12-19(13-15-26)25(7)20-17-21(18-20)29-23(2,3)4/h19-21H,8-18H2,1-7H3
InChIKeyOGMZPZBCOKQBHU-UHFFFAOYSA-N
MW410.64 g/mol
LogP4.63
Rot. Bonds10

About 5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one

5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one (PubChem CID 146520234) has the molecular formula C24H46N2O3 and a molecular weight of 410.64 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one
PubChem CID146520234
Molecular FormulaC24H46N2O3
Molecular Weight410.64 g/mol
Exact Mass410.35
IUPAC Name5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one
SMILESCCC(C)(C)OCCCCC(=O)N1CCC(N(C)C2CC(OC(C)(C)C)C2)CC1
InChIInChI=1S/C24H46N2O3/c1-8-24(5,6)28-16-10-9-11-22(27)26-14-12-19(13-15-26)25(7)20-17-21(18-20)29-23(2,3)4/h19-21H,8-18H2,1-7H3
InChIKeyOGMZPZBCOKQBHU-UHFFFAOYSA-N
XLogP4.63
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.64
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one?
The IUPAC name of 5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one (CID 146520234) is 5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one?
The canonical SMILES for 5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one is CCC(C)(C)OCCCCC(=O)N1CCC(N(C)C2CC(OC(C)(C)C)C2)CC1.
What is the InChIKey of 5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one?
The InChIKey is OGMZPZBCOKQBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O3/c1-8-24(5,6)28-16-10-9-11-22(27)26-14-12-19(13-15-26)25(7)20-17-21(18-20)29-23(2,3)4/h19-21H,8-18H2,1-7H3.
What are the key properties of 5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one?
5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one has a molecular weight of 410.64 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 146520234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).