2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide

C23H32FN3O2 — CID 11516921

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide
SMILESCC(C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H32FN3O2/c1-15(26-6-8-27(9-7-26)20-4-2-19(24)3-5-20)22(28)25-21-17-10-16-11-18(21)14-23(29,12-16)13-17/h2-5,15-18,21,29H,6-14H2,1H3,(H,25,28)
InChIKeyMMUXBLSJGFVYHO-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.39
Rot. Bonds4

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide (PubChem CID 11516921) has the molecular formula C23H32FN3O2 and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide
PubChem CID11516921
Molecular FormulaC23H32FN3O2
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide
SMILESCC(C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H32FN3O2/c1-15(26-6-8-27(9-7-26)20-4-2-19(24)3-5-20)22(28)25-21-17-10-16-11-18(21)14-23(29,12-16)13-17/h2-5,15-18,21,29H,6-14H2,1H3,(H,25,28)
InChIKeyMMUXBLSJGFVYHO-UHFFFAOYSA-N
XLogP2.39
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide (CID 11516921) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide is CC(C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide?
The InChIKey is MMUXBLSJGFVYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O2/c1-15(26-6-8-27(9-7-26)20-4-2-19(24)3-5-20)22(28)25-21-17-10-16-11-18(21)14-23(29,12-16)13-17/h2-5,15-18,21,29H,6-14H2,1H3,(H,25,28).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide has a molecular weight of 401.53 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide is sourced from PubChem (CID 11516921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).