2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide

C24H41FN2O — CID 59455800

IUPAC2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide
SMILESCC(C)(C)CCN1CCC(F)(CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H41FN2O/c1-22(2,3)4-7-27-8-5-24(25,6-9-27)17-26-21(28)16-23-13-18-10-19(14-23)12-20(11-18)15-23/h18-20H,4-17H2,1-3H3,(H,26,28)
InChIKeyCTZSUTIEESNONW-UHFFFAOYSA-N
MW392.60 g/mol
LogP4.95
Rot. Bonds6

About 2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide

2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide (PubChem CID 59455800) has the molecular formula C24H41FN2O and a molecular weight of 392.60 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide
PubChem CID59455800
Molecular FormulaC24H41FN2O
Molecular Weight392.60 g/mol
Exact Mass392.32
IUPAC Name2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide
SMILESCC(C)(C)CCN1CCC(F)(CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H41FN2O/c1-22(2,3)4-7-27-8-5-24(25,6-9-27)17-26-21(28)16-23-13-18-10-19(14-23)12-20(11-18)15-23/h18-20H,4-17H2,1-3H3,(H,26,28)
InChIKeyCTZSUTIEESNONW-UHFFFAOYSA-N
XLogP4.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.60
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide (CID 59455800) is 2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide is CC(C)(C)CCN1CCC(F)(CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide?
The InChIKey is CTZSUTIEESNONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41FN2O/c1-22(2,3)4-7-27-8-5-24(25,6-9-27)17-26-21(28)16-23-13-18-10-19(14-23)12-20(11-18)15-23/h18-20H,4-17H2,1-3H3,(H,26,28).
What are the key properties of 2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide?
2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide has a molecular weight of 392.60 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 59455800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).