N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide

C22H27FN2O2 — CID 146167151

IUPACN-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CC(O)c2ccccc2F)CC1
InChIInChI=1S/C22H27FN2O2/c1-2-22(27)25(17-8-4-3-5-9-17)18-12-14-24(15-13-18)16-21(26)19-10-6-7-11-20(19)23/h3-11,18,21,26H,2,12-16H2,1H3
InChIKeyNGQAFNBFRFDDJN-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.77
Rot. Bonds6

About N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide

N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 146167151) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID146167151
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CC(O)c2ccccc2F)CC1
InChIInChI=1S/C22H27FN2O2/c1-2-22(27)25(17-8-4-3-5-9-17)18-12-14-24(15-13-18)16-21(26)19-10-6-7-11-20(19)23/h3-11,18,21,26H,2,12-16H2,1H3
InChIKeyNGQAFNBFRFDDJN-UHFFFAOYSA-N
XLogP3.77
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide (CID 146167151) is N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(CC(O)c2ccccc2F)CC1.
What is the InChIKey of N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is NGQAFNBFRFDDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-2-22(27)25(17-8-4-3-5-9-17)18-12-14-24(15-13-18)16-21(26)19-10-6-7-11-20(19)23/h3-11,18,21,26H,2,12-16H2,1H3.
What are the key properties of N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 370.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 146167151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).