2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide

C23H33N3O — CID 112823323

IUPAC2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(NC2C3CC4CC(C3)CC2C4)CC1)Nc1ccccc1
InChIInChI=1S/C23H33N3O/c27-22(24-20-4-2-1-3-5-20)15-26-8-6-21(7-9-26)25-23-18-11-16-10-17(13-18)14-19(23)12-16/h1-5,16-19,21,23,25H,6-15H2,(H,24,27)
InChIKeyCHDDSVZNTQNOCS-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.50
Rot. Bonds5

About 2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide

2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide (PubChem CID 112823323) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide
PubChem CID112823323
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(NC2C3CC4CC(C3)CC2C4)CC1)Nc1ccccc1
InChIInChI=1S/C23H33N3O/c27-22(24-20-4-2-1-3-5-20)15-26-8-6-21(7-9-26)25-23-18-11-16-10-17(13-18)14-19(23)12-16/h1-5,16-19,21,23,25H,6-15H2,(H,24,27)
InChIKeyCHDDSVZNTQNOCS-UHFFFAOYSA-N
XLogP3.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037
2-(4-cyanopiperidin-1-yl)-N-phenylacetamide
CID 48940732
2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide
CID 51335811
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
2-[4-[acetyl(ethyl)amino]piperidin-1-yl]-N-phenylacetamide
CID 70256212

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide (CID 112823323) is 2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide is O=C(CN1CCC(NC2C3CC4CC(C3)CC2C4)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide?
The InChIKey is CHDDSVZNTQNOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c27-22(24-20-4-2-1-3-5-20)15-26-8-6-21(7-9-26)25-23-18-11-16-10-17(13-18)14-19(23)12-16/h1-5,16-19,21,23,25H,6-15H2,(H,24,27).
What are the key properties of 2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide?
2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide has a molecular weight of 367.54 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 112823323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).