4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one

C24H44N2O3 — CID 140908004

IUPAC4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one
SMILESCC(C)(C)OC1CC(OC2CCN(C(=O)CCCC3CN(C(C)(C)C)C3)CC2)C1
InChIInChI=1S/C24H44N2O3/c1-23(2,3)26-16-18(17-26)8-7-9-22(27)25-12-10-19(11-13-25)28-20-14-21(15-20)29-24(4,5)6/h18-21H,7-17H2,1-6H3
InChIKeyPEBSRVBWVVILNT-UHFFFAOYSA-N
MW408.63 g/mol
LogP4.24
Rot. Bonds7

About 4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one

4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one (PubChem CID 140908004) has the molecular formula C24H44N2O3 and a molecular weight of 408.63 g/mol. Its IUPAC name is 4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one
PubChem CID140908004
Molecular FormulaC24H44N2O3
Molecular Weight408.63 g/mol
Exact Mass408.34
IUPAC Name4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one
SMILESCC(C)(C)OC1CC(OC2CCN(C(=O)CCCC3CN(C(C)(C)C)C3)CC2)C1
InChIInChI=1S/C24H44N2O3/c1-23(2,3)26-16-18(17-26)8-7-9-22(27)25-12-10-19(11-13-25)28-20-14-21(15-20)29-24(4,5)6/h18-21H,7-17H2,1-6H3
InChIKeyPEBSRVBWVVILNT-UHFFFAOYSA-N
XLogP4.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one?
The IUPAC name of 4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one (CID 140908004) is 4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one is CC(C)(C)OC1CC(OC2CCN(C(=O)CCCC3CN(C(C)(C)C)C3)CC2)C1.
What is the InChIKey of 4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one?
The InChIKey is PEBSRVBWVVILNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O3/c1-23(2,3)26-16-18(17-26)8-7-9-22(27)25-12-10-19(11-13-25)28-20-14-21(15-20)29-24(4,5)6/h18-21H,7-17H2,1-6H3.
What are the key properties of 4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one?
4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one has a molecular weight of 408.63 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one is sourced from PubChem (CID 140908004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).