N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide

C31H37FN2O2 — CID 142001280

IUPACN-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC(Cc1ccccc1)C(O)CN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C31H37FN2O2/c32-28-14-11-26(12-15-28)21-27-17-19-34(20-18-27)23-30(35)29(22-25-9-5-2-6-10-25)33-31(36)16-13-24-7-3-1-4-8-24/h1-12,14-15,27,29-30,35H,13,16-23H2,(H,33,36)
InChIKeyCYEHNKUHXCBKSD-UHFFFAOYSA-N
MW488.65 g/mol
LogP4.80
Rot. Bonds11

About N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide

N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide (PubChem CID 142001280) has the molecular formula C31H37FN2O2 and a molecular weight of 488.65 g/mol. Its IUPAC name is N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide
PubChem CID142001280
Molecular FormulaC31H37FN2O2
Molecular Weight488.65 g/mol
Exact Mass488.28
IUPAC NameN-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC(Cc1ccccc1)C(O)CN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C31H37FN2O2/c32-28-14-11-26(12-15-28)21-27-17-19-34(20-18-27)23-30(35)29(22-25-9-5-2-6-10-25)33-31(36)16-13-24-7-3-1-4-8-24/h1-12,14-15,27,29-30,35H,13,16-23H2,(H,33,36)
InChIKeyCYEHNKUHXCBKSD-UHFFFAOYSA-N
XLogP4.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.65
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide (CID 142001280) is N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC(Cc1ccccc1)C(O)CN1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide?
The InChIKey is CYEHNKUHXCBKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN2O2/c32-28-14-11-26(12-15-28)21-27-17-19-34(20-18-27)23-30(35)29(22-25-9-5-2-6-10-25)33-31(36)16-13-24-7-3-1-4-8-24/h1-12,14-15,27,29-30,35H,13,16-23H2,(H,33,36).
What are the key properties of N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide?
N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide has a molecular weight of 488.65 g/mol, XLogP of 4.80, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 142001280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).