1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C21H27FN2O — CID 2896916

IUPAC1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27FN2O/c22-18-1-3-19(4-2-18)23-5-7-24(8-6-23)20(25)21-12-15-9-16(13-21)11-17(10-15)14-21/h1-4,15-17H,5-14H2
InChIKeyMTFMBDHEYHTHLH-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.69
Rot. Bonds2

About 1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 2896916) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID2896916
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27FN2O/c22-18-1-3-19(4-2-18)23-5-7-24(8-6-23)20(25)21-12-15-9-16(13-21)11-17(10-15)14-21/h1-4,15-17H,5-14H2
InChIKeyMTFMBDHEYHTHLH-UHFFFAOYSA-N
XLogP3.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 9864325
8-{2-[4-(2,5-Difluorophenyl)piperazin-1-yl]ethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 9908478
1-[4-(4-Fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 710849
Cyclohexanecarboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 9865584
2-(4-Fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 797923
N-(4-fluorophenyl)-1-(3-phenylpropanoyl)-3-piperidinamine
CID 24791061
1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2851184
Adamantanyl indolinyl ketone
CID 3579176
N-Phenyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 4352323
8-{2-[4-(3,4-Difluorophenyl)piperazin-1-yl]ethyl}-8-azaspiro[4.5]decane-7,9-dione
CID 9865254
N-Adamantan-2-yl-2-{1-[(4-fluoro-phenylcarbamoyl)-methyl]-cyclopentyl}-acetamide
CID 24947416
1-Adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71559522

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 2896916) is 1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(N1CCN(c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is MTFMBDHEYHTHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c22-18-1-3-19(4-2-18)23-5-7-24(8-6-23)20(25)21-12-15-9-16(13-21)11-17(10-15)14-21/h1-4,15-17H,5-14H2.
What are the key properties of 1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 342.46 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2896916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).