2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate

C26H46N2O4 — CID 155075482

IUPAC2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate
SMILESCC(C)(OC(=O)CC1(CC(=O)OC(C)(C)C2CCNCC2)CCCCC1)C1CCNCC1
InChIInChI=1S/C26H46N2O4/c1-24(2,20-8-14-27-15-9-20)31-22(29)18-26(12-6-5-7-13-26)19-23(30)32-25(3,4)21-10-16-28-17-11-21/h20-21,27-28H,5-19H2,1-4H3
InChIKeyFIVBGGRSLRZIFI-UHFFFAOYSA-N
MW450.66 g/mol
LogP4.36
Rot. Bonds8

About 2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate

2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate (PubChem CID 155075482) has the molecular formula C26H46N2O4 and a molecular weight of 450.66 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate
PubChem CID155075482
Molecular FormulaC26H46N2O4
Molecular Weight450.66 g/mol
Exact Mass450.35
IUPAC Name2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate
SMILESCC(C)(OC(=O)CC1(CC(=O)OC(C)(C)C2CCNCC2)CCCCC1)C1CCNCC1
InChIInChI=1S/C26H46N2O4/c1-24(2,20-8-14-27-15-9-20)31-22(29)18-26(12-6-5-7-13-26)19-23(30)32-25(3,4)21-10-16-28-17-11-21/h20-21,27-28H,5-19H2,1-4H3
InChIKeyFIVBGGRSLRZIFI-UHFFFAOYSA-N
XLogP4.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.66
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate (CID 155075482) is 2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate is CC(C)(OC(=O)CC1(CC(=O)OC(C)(C)C2CCNCC2)CCCCC1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate?
The InChIKey is FIVBGGRSLRZIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O4/c1-24(2,20-8-14-27-15-9-20)31-22(29)18-26(12-6-5-7-13-26)19-23(30)32-25(3,4)21-10-16-28-17-11-21/h20-21,27-28H,5-19H2,1-4H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate?
2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate has a molecular weight of 450.66 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 2-[1-[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl]cyclohexyl]acetate is sourced from PubChem (CID 155075482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).