N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide

C19H30N2O2 — CID 51203516

IUPACN-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide
SMILESCC(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H30N2O2/c1-13(22)21-4-2-17(3-5-21)20-18(23)12-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-17H,2-12H2,1H3,(H,20,23)
InChIKeyBDWGTDABOCGWQR-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.72
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide

N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide (PubChem CID 51203516) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide
PubChem CID51203516
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide
SMILESCC(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H30N2O2/c1-13(22)21-4-2-17(3-5-21)20-18(23)12-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-17H,2-12H2,1H3,(H,20,23)
InChIKeyBDWGTDABOCGWQR-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide (CID 51203516) is N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide is CC(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide?
The InChIKey is BDWGTDABOCGWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13(22)21-4-2-17(3-5-21)20-18(23)12-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-17H,2-12H2,1H3,(H,20,23).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide?
N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide is sourced from PubChem (CID 51203516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).