2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C21H27FN2O — CID 51191557

IUPAC2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1C2CC3CC(C2)CC1C3)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H27FN2O/c22-18-3-1-2-4-19(18)23-5-7-24(8-6-23)21(25)20-16-10-14-9-15(12-16)13-17(20)11-14/h1-4,14-17,20H,5-13H2
InChIKeyMXOZSFGBIWAWDS-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.55
Rot. Bonds2

About 2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone

2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 51191557) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID51191557
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1C2CC3CC(C2)CC1C3)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H27FN2O/c22-18-3-1-2-4-19(18)23-5-7-24(8-6-23)21(25)20-16-10-14-9-15(12-16)13-17(20)11-14/h1-4,14-17,20H,5-13H2
InChIKeyMXOZSFGBIWAWDS-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,3S,4R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51398785
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119826971
(1R,2S,3S,4R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98301617
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109134358
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 64823960
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
CID 110703277
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 109139092
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124513191

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of 2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 51191557) is 2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for 2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(C1C2CC3CC(C2)CC1C3)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is MXOZSFGBIWAWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c22-18-3-1-2-4-19(18)23-5-7-24(8-6-23)21(25)20-16-10-14-9-15(12-16)13-17(20)11-14/h1-4,14-17,20H,5-13H2.
What are the key properties of 2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 342.46 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 51191557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).