2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide

C25H36N2O2 — CID 11603631

IUPAC2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide
SMILESCC(C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H36N2O2/c1-17(27-9-7-19(8-10-27)11-18-5-3-2-4-6-18)24(28)26-23-21-12-20-13-22(23)16-25(29,14-20)15-21/h2-6,17,19-23,29H,7-16H2,1H3,(H,26,28)
InChIKeyQXPOPLRHUNOSKK-UHFFFAOYSA-N
MW396.58 g/mol
LogP3.39
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide

2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide (PubChem CID 11603631) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide
PubChem CID11603631
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide
SMILESCC(C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H36N2O2/c1-17(27-9-7-19(8-10-27)11-18-5-3-2-4-6-18)24(28)26-23-21-12-20-13-22(23)16-25(29,14-20)15-21/h2-6,17,19-23,29H,7-16H2,1H3,(H,26,28)
InChIKeyQXPOPLRHUNOSKK-UHFFFAOYSA-N
XLogP3.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide (CID 11603631) is 2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide is CC(C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide?
The InChIKey is QXPOPLRHUNOSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-17(27-9-7-19(8-10-27)11-18-5-3-2-4-6-18)24(28)26-23-21-12-20-13-22(23)16-25(29,14-20)15-21/h2-6,17,19-23,29H,7-16H2,1H3,(H,26,28).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide?
2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide has a molecular weight of 396.58 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide is sourced from PubChem (CID 11603631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).