(1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate

C20H30N2O5 — CID 90946008

IUPAC(1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate
SMILESCOCC(=O)N1CCC(C(=O)OC2C3CC4CC(C3)CC2(C(N)=O)C4)CC1
InChIInChI=1S/C20H30N2O5/c1-26-11-16(23)22-4-2-14(3-5-22)18(24)27-17-15-7-12-6-13(8-15)10-20(17,9-12)19(21)25/h12-15,17H,2-11H2,1H3,(H2,21,25)
InChIKeyUNJAMPGFOXHLMG-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.09
Rot. Bonds5

About (1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate

(1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate (PubChem CID 90946008) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is (1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate
PubChem CID90946008
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name(1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate
SMILESCOCC(=O)N1CCC(C(=O)OC2C3CC4CC(C3)CC2(C(N)=O)C4)CC1
InChIInChI=1S/C20H30N2O5/c1-26-11-16(23)22-4-2-14(3-5-22)18(24)27-17-15-7-12-6-13(8-15)10-20(17,9-12)19(21)25/h12-15,17H,2-11H2,1H3,(H2,21,25)
InChIKeyUNJAMPGFOXHLMG-UHFFFAOYSA-N
XLogP1.09
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate?
The IUPAC name of (1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate (CID 90946008) is (1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate.
What is the SMILES notation for (1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate?
The canonical SMILES for (1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate is COCC(=O)N1CCC(C(=O)OC2C3CC4CC(C3)CC2(C(N)=O)C4)CC1.
What is the InChIKey of (1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate?
The InChIKey is UNJAMPGFOXHLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-26-11-16(23)22-4-2-14(3-5-22)18(24)27-17-15-7-12-6-13(8-15)10-20(17,9-12)19(21)25/h12-15,17H,2-11H2,1H3,(H2,21,25).
What are the key properties of (1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate?
(1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyl-2-adamantyl) 1-(2-methoxyacetyl)piperidine-4-carboxylate is sourced from PubChem (CID 90946008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).