N-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide

C19H30N2O3 — CID 24956472

IUPACN-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)NC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C19H30N2O3/c1-24-11-17(22)21-4-2-14(3-5-21)19(23)20-18-15-7-12-6-13(9-15)10-16(18)8-12/h12-16,18H,2-11H2,1H3,(H,20,23)
InChIKeyVFEWRPNHJVHSMJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.81
Rot. Bonds4

About N-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide

N-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide (PubChem CID 24956472) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide
PubChem CID24956472
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)NC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C19H30N2O3/c1-24-11-17(22)21-4-2-14(3-5-21)19(23)20-18-15-7-12-6-13(9-15)10-16(18)8-12/h12-16,18H,2-11H2,1H3,(H,20,23)
InChIKeyVFEWRPNHJVHSMJ-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide (CID 24956472) is N-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide is COCC(=O)N1CCC(C(=O)NC2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of N-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The InChIKey is VFEWRPNHJVHSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-24-11-17(22)21-4-2-14(3-5-21)19(23)20-18-15-7-12-6-13(9-15)10-16(18)8-12/h12-16,18H,2-11H2,1H3,(H,20,23).
What are the key properties of N-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide?
N-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 24956472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).