[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone

C26H33FN2O2 — CID 55538682

IUPAC[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
SMILESO=C(N1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H33FN2O2/c27-22-4-1-3-21(14-22)26(5-2-6-26)24(31)29-9-7-28(8-10-29)23(30)25-15-18-11-19(16-25)13-20(12-18)17-25/h1,3-4,14,18-20H,2,5-13,15-17H2
InChIKeyIRTWGVHZBFWFPI-UHFFFAOYSA-N
MW424.56 g/mol
LogP4.13
Rot. Bonds3

About [4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone

[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone (PubChem CID 55538682) has the molecular formula C26H33FN2O2 and a molecular weight of 424.56 g/mol. Its IUPAC name is [4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
PubChem CID55538682
Molecular FormulaC26H33FN2O2
Molecular Weight424.56 g/mol
Exact Mass424.25
IUPAC Name[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
SMILESO=C(N1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H33FN2O2/c27-22-4-1-3-21(14-22)26(5-2-6-26)24(31)29-9-7-28(8-10-29)23(30)25-15-18-11-19(16-25)13-20(12-18)17-25/h1,3-4,14,18-20H,2,5-13,15-17H2
InChIKeyIRTWGVHZBFWFPI-UHFFFAOYSA-N
XLogP4.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone with MolForge

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Related Compounds

[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 71938226
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[1-(3-fluorophenyl)cyclobutyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111430036
[1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606984
6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174632
[1-(3-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763147
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542873
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 120659893
N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide
CID 55599636
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55339053

Frequently Asked Questions

What is the IUPAC name of [4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone?
The IUPAC name of [4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone (CID 55538682) is [4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone.
What is the SMILES notation for [4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone?
The canonical SMILES for [4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone is O=C(N1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone?
The InChIKey is IRTWGVHZBFWFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O2/c27-22-4-1-3-21(14-22)26(5-2-6-26)24(31)29-9-7-28(8-10-29)23(30)25-15-18-11-19(16-25)13-20(12-18)17-25/h1,3-4,14,18-20H,2,5-13,15-17H2.
What are the key properties of [4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone?
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone has a molecular weight of 424.56 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone is sourced from PubChem (CID 55538682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).