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

C23H31N3O2 — CID 9223452

IUPACN-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H31N3O2/c27-21(24-23-13-17-10-18(14-23)12-19(11-17)15-23)16-25-6-8-26(9-7-25)22(28)20-4-2-1-3-5-20/h1-5,17-19H,6-16H2,(H,24,27)
InChIKeyKJZYCVSDLSJJFX-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.53
Rot. Bonds4

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

N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide (PubChem CID 9223452) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide
PubChem CID9223452
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H31N3O2/c27-21(24-23-13-17-10-18(14-23)12-19(11-17)15-23)16-25-6-8-26(9-7-25)22(28)20-4-2-1-3-5-20/h1-5,17-19H,6-16H2,(H,24,27)
InChIKeyKJZYCVSDLSJJFX-UHFFFAOYSA-N
XLogP2.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid
CID 171669478
2-(4-benzoylpiperazin-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 4782285
N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride
CID 21236481
2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9223376
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
N-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide
CID 120760033
N-(1-adamantyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 11601752
1-[2-(1-adamantylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502485
2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
CID 18082973
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 9223532
2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
CID 31375804
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide (CID 9223452) is N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide is O=C(CN1CCN(C(=O)c2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide?
The InChIKey is KJZYCVSDLSJJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-21(24-23-13-17-10-18(14-23)12-19(11-17)15-23)16-25-6-8-26(9-7-25)22(28)20-4-2-1-3-5-20/h1-5,17-19H,6-16H2,(H,24,27).
What are the key properties of N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide?
N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide is sourced from PubChem (CID 9223452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).