N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide

C19H30N2O2 — CID 108509038

IUPACN-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
SMILESCC(NC(=O)C(=O)N1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30N2O2/c1-13(20-17(22)18(23)21-5-3-2-4-6-21)19-10-14-7-15(11-19)9-16(8-14)12-19/h13-16H,2-12H2,1H3,(H,20,22)
InChIKeyGMFKULDYBXCHGT-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.72
Rot. Bonds2

About N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide

N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 108509038) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
PubChem CID108509038
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
SMILESCC(NC(=O)C(=O)N1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30N2O2/c1-13(20-17(22)18(23)21-5-3-2-4-6-21)19-10-14-7-15(11-19)9-16(8-14)12-19/h13-16H,2-12H2,1H3,(H,20,22)
InChIKeyGMFKULDYBXCHGT-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide (CID 108509038) is N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide is CC(NC(=O)C(=O)N1CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is GMFKULDYBXCHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13(20-17(22)18(23)21-5-3-2-4-6-21)19-10-14-7-15(11-19)9-16(8-14)12-19/h13-16H,2-12H2,1H3,(H,20,22).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide?
N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 318.46 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 108509038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).