[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

C22H34N2O4 — CID 5036659

IUPAC[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESCC1CC(C)CN(C(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C22H34N2O4/c1-14-3-15(2)12-24(11-14)19(25)13-28-20(26)10-23-21(27)22-7-16-4-17(8-22)6-18(5-16)9-22/h14-18H,3-13H2,1-2H3,(H,23,27)
InChIKeyRDOKTGLVGFQCGB-UHFFFAOYSA-N
MW390.52 g/mol
LogP2.37
Rot. Bonds5

About [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (PubChem CID 5036659) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
PubChem CID5036659
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESCC1CC(C)CN(C(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C22H34N2O4/c1-14-3-15(2)12-24(11-14)19(25)13-28-20(26)10-23-21(27)22-7-16-4-17(8-22)6-18(5-16)9-22/h14-18H,3-13H2,1-2H3,(H,23,27)
InChIKeyRDOKTGLVGFQCGB-UHFFFAOYSA-N
XLogP2.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(adamantane-1-carbonylamino)acetate
CID 4120007
(2-Oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate
CID 3635511
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3919970
Ethyl 4-[2-(adamantane-1-carbonylamino)acetyl]piperazine-1-carboxylate
CID 3971663
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 4553339
N-[1-(morpholin-4-yl)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 2936422
N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide
CID 3132637
2-adamantanyl-N-[1-(2-methylpropyl)-2-morpholin-4-yl-2-oxoethyl]acetamide
CID 2945936
[2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate
CID 4876942
Methyl 2-[(3,5-dimethyladamantanyl)carbonylamino]acetate
CID 6465588
(3r,5r,7r)-N-(4-morpholinobut-2-yn-1-yl)adamantane-1-carboxamide
CID 71792686
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(adamantane-1-carbonylamino)acetate
CID 2597367

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (CID 5036659) is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is CC1CC(C)CN(C(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is RDOKTGLVGFQCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-14-3-15(2)12-24(11-14)19(25)13-28-20(26)10-23-21(27)22-7-16-4-17(8-22)6-18(5-16)9-22/h14-18H,3-13H2,1-2H3,(H,23,27).
What are the key properties of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 390.52 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 5036659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).