N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide

C24H33N3O2 — CID 46798897

IUPACN-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C24H33N3O2/c28-22(26-20-6-2-3-7-21(20)27-8-4-1-5-9-27)16-25-23(29)24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,17-19H,1,4-5,8-16H2,(H,25,29)(H,26,28)
InChIKeyULUJVTOYUAKOIK-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.95
Rot. Bonds5

About N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide

N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide (PubChem CID 46798897) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide
PubChem CID46798897
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C24H33N3O2/c28-22(26-20-6-2-3-7-21(20)27-8-4-1-5-9-27)16-25-23(29)24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,17-19H,1,4-5,8-16H2,(H,25,29)(H,26,28)
InChIKeyULUJVTOYUAKOIK-UHFFFAOYSA-N
XLogP3.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2958595
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CID 46519976
N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide
CID 51185847
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
2-(azetidin-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 64611833
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 46526099
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide
CID 30495584
N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 60544041
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide (CID 46798897) is N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide is O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1N1CCCCC1.
What is the InChIKey of N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide?
The InChIKey is ULUJVTOYUAKOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c28-22(26-20-6-2-3-7-21(20)27-8-4-1-5-9-27)16-25-23(29)24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,17-19H,1,4-5,8-16H2,(H,25,29)(H,26,28).
What are the key properties of N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide?
N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 46798897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).