N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide

C24H33N3O2 — CID 108509196

IUPACN-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(NC(=O)C(=O)N1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33N3O2/c1-17(24-14-18-11-19(15-24)13-20(12-18)16-24)25-22(28)23(29)27-9-7-26(8-10-27)21-5-3-2-4-6-21/h2-6,17-20H,7-16H2,1H3,(H,25,28)
InChIKeyRXNINPRYAQBUPY-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.06
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide

N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 108509196) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID108509196
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(NC(=O)C(=O)N1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33N3O2/c1-17(24-14-18-11-19(15-24)13-20(12-18)16-24)25-22(28)23(29)27-9-7-26(8-10-27)21-5-3-2-4-6-21/h2-6,17-20H,7-16H2,1H3,(H,25,28)
InChIKeyRXNINPRYAQBUPY-UHFFFAOYSA-N
XLogP3.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-adamantyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108509159
(3S)-N-[(1R)-1-(1-adamantyl)ethyl]-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide
CID 41242861
N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide
CID 8669555
N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide
CID 108509213
N-[1-(1-adamantyl)ethyl]-2-hydroxy-2,2-diphenylacetamide
CID 3762847
2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 108985742
N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide
CID 108509141
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enamide
CID 108842752
N-(2-hydroxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108514381
N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide
CID 55695142
4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde
CID 108530923
N-[(1R)-1-(1-adamantyl)ethyl]-2-methylsulfonylbenzamide
CID 7929248

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide (CID 108509196) is N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide is CC(NC(=O)C(=O)N1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is RXNINPRYAQBUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-17(24-14-18-11-19(15-24)13-20(12-18)16-24)25-22(28)23(29)27-9-7-26(8-10-27)21-5-3-2-4-6-21/h2-6,17-20H,7-16H2,1H3,(H,25,28).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 395.55 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108509196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).