N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide

C33H40FN3O2 — CID 162643506

IUPACN-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide
SMILESCCC(=O)N(CCc1ccccc1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C33H40FN3O2/c1-2-31(38)37(23-18-28-12-7-4-8-13-28)33(32(39)35-21-16-29-14-9-15-30(34)26-29)19-24-36(25-20-33)22-17-27-10-5-3-6-11-27/h3-15,26H,2,16-25H2,1H3,(H,35,39)
InChIKeyVSHXYVXACAMQRP-UHFFFAOYSA-N
MW529.70 g/mol
LogP5.04
Rot. Bonds12

About N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide

N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide (PubChem CID 162643506) has the molecular formula C33H40FN3O2 and a molecular weight of 529.70 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide
PubChem CID162643506
Molecular FormulaC33H40FN3O2
Molecular Weight529.70 g/mol
Exact Mass529.31
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide
SMILESCCC(=O)N(CCc1ccccc1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C33H40FN3O2/c1-2-31(38)37(23-18-28-12-7-4-8-13-28)33(32(39)35-21-16-29-14-9-15-30(34)26-29)19-24-36(25-20-33)22-17-27-10-5-3-6-11-27/h3-15,26H,2,16-25H2,1H3,(H,35,39)
InChIKeyVSHXYVXACAMQRP-UHFFFAOYSA-N
XLogP5.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.70
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide 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-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide (CID 162643506) is N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide is CCC(=O)N(CCc1ccccc1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide?
The InChIKey is VSHXYVXACAMQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40FN3O2/c1-2-31(38)37(23-18-28-12-7-4-8-13-28)33(32(39)35-21-16-29-14-9-15-30(34)26-29)19-24-36(25-20-33)22-17-27-10-5-3-6-11-27/h3-15,26H,2,16-25H2,1H3,(H,35,39).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide has a molecular weight of 529.70 g/mol, XLogP of 5.04, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)-4-[2-phenylethyl(propanoyl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 162643506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).