N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide

C20H29FN2O2 — CID 110879842

IUPACN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)CC1)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C20H29FN2O2/c21-17-8-6-16(7-9-17)14-23(18-4-2-1-3-5-18)20(25)15-22-12-10-19(24)11-13-22/h6-9,18-19,24H,1-5,10-15H2
InChIKeyPHXFGFDDCKQJFW-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.94
Rot. Bonds5

About N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide (PubChem CID 110879842) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide
PubChem CID110879842
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)CC1)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C20H29FN2O2/c21-17-8-6-16(7-9-17)14-23(18-4-2-1-3-5-18)20(25)15-22-12-10-19(24)11-13-22/h6-9,18-19,24H,1-5,10-15H2
InChIKeyPHXFGFDDCKQJFW-UHFFFAOYSA-N
XLogP2.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide (CID 110879842) is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide is O=C(CN1CCC(O)CC1)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The InChIKey is PHXFGFDDCKQJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c21-17-8-6-16(7-9-17)14-23(18-4-2-1-3-5-18)20(25)15-22-12-10-19(24)11-13-22/h6-9,18-19,24H,1-5,10-15H2.
What are the key properties of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide has a molecular weight of 348.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 110879842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).