(2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate

C20H30N2O4 — CID 3635511

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)N1CCCCC1
InChIInChI=1S/C20H30N2O4/c23-17(22-4-2-1-3-5-22)13-26-18(24)12-21-19(25)20-9-14-6-15(10-20)8-16(7-14)11-20/h14-16H,1-13H2,(H,21,25)
InChIKeyKMBGBKNAEQABGW-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.87
Rot. Bonds5

About (2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate

(2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate (PubChem CID 3635511) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate
PubChem CID3635511
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)N1CCCCC1
InChIInChI=1S/C20H30N2O4/c23-17(22-4-2-1-3-5-22)13-26-18(24)12-21-19(25)20-9-14-6-15(10-20)8-16(7-14)11-20/h14-16H,1-13H2,(H,21,25)
InChIKeyKMBGBKNAEQABGW-UHFFFAOYSA-N
XLogP1.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate (CID 3635511) is (2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate is O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is KMBGBKNAEQABGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c23-17(22-4-2-1-3-5-22)13-26-18(24)12-21-19(25)20-9-14-6-15(10-20)8-16(7-14)11-20/h14-16H,1-13H2,(H,21,25).
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate?
(2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 362.47 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 3635511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).