3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one

C20H29FN2O2 — CID 45236288

IUPAC3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
SMILESCN(CC1(O)CCCN(Cc2ccccc2F)C1=O)C1CCCCC1
InChIInChI=1S/C20H29FN2O2/c1-22(17-9-3-2-4-10-17)15-20(25)12-7-13-23(19(20)24)14-16-8-5-6-11-18(16)21/h5-6,8,11,17,25H,2-4,7,9-10,12-15H2,1H3
InChIKeyZDZRWTNTATURDC-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.94
Rot. Bonds5

About 3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one

3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one (PubChem CID 45236288) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
PubChem CID45236288
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
SMILESCN(CC1(O)CCCN(Cc2ccccc2F)C1=O)C1CCCCC1
InChIInChI=1S/C20H29FN2O2/c1-22(17-9-3-2-4-10-17)15-20(25)12-7-13-23(19(20)24)14-16-8-5-6-11-18(16)21/h5-6,8,11,17,25H,2-4,7,9-10,12-15H2,1H3
InChIKeyZDZRWTNTATURDC-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 3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one (CID 45236288) is 3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one is CN(CC1(O)CCCN(Cc2ccccc2F)C1=O)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The InChIKey is ZDZRWTNTATURDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-22(17-9-3-2-4-10-17)15-20(25)12-7-13-23(19(20)24)14-16-8-5-6-11-18(16)21/h5-6,8,11,17,25H,2-4,7,9-10,12-15H2,1H3.
What are the key properties of 3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one 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 3-[[cyclohexyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 45236288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).