[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate

C19H28N2O4 — CID 4876942

IUPAC[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate
SMILESNC(=O)C1CCN(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H28N2O4/c20-17(23)15-1-3-21(4-2-15)16(22)11-25-18(24)19-8-12-5-13(9-19)7-14(6-12)10-19/h12-15H,1-11H2,(H2,20,23)
InChIKeyPGWRCZDNZCIDHJ-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.47
Rot. Bonds4

About [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate (PubChem CID 4876942) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate
PubChem CID4876942
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate
SMILESNC(=O)C1CCN(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H28N2O4/c20-17(23)15-1-3-21(4-2-15)16(22)11-25-18(24)19-8-12-5-13(9-19)7-14(6-12)10-19/h12-15H,1-11H2,(H2,20,23)
InChIKeyPGWRCZDNZCIDHJ-UHFFFAOYSA-N
XLogP1.47
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Oxo-2-piperidin-1-ylethyl) 3-chloroadamantane-1-carboxylate
CID 4404672
Ethyl 1-[2-(adamantane-1-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 5083374
(2-Oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate
CID 3635511
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 5036659
[2-[Cyclohexyl(ethyl)amino]-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate
CID 4028657
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3919970
[[2-(1-Adamantyl)acetyl]amino] morpholine-4-carboxylate
CID 72712352
(2-Oxo-2-piperidin-1-ylethyl) 3-bromoadamantane-1-carboxylate
CID 4091840
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate
CID 4464483
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate
CID 5002966
Methyl 3-[3-(morpholine-4-carbonyl)-1-adamantyl]adamantane-1-carboxylate
CID 58493892
(1-Carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate
CID 90946008

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate?
The IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate (CID 4876942) is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate is NC(=O)C1CCN(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate?
The InChIKey is PGWRCZDNZCIDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c20-17(23)15-1-3-21(4-2-15)16(22)11-25-18(24)19-8-12-5-13(9-19)7-14(6-12)10-19/h12-15H,1-11H2,(H2,20,23).
What are the key properties of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate?
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate is sourced from PubChem (CID 4876942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).