N-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide

C22H26FN3O2 — CID 50788857

IUPACN-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)NCc3ccccc3F)c2)C1
InChIInChI=1S/C22H26FN3O2/c1-2-24-22(28)26-12-6-10-19(15-26)16-8-5-9-17(13-16)21(27)25-14-18-7-3-4-11-20(18)23/h3-5,7-9,11,13,19H,2,6,10,12,14-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyZQJKDMBIYOBOLY-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.66
Rot. Bonds5

About N-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide

N-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 50788857) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
PubChem CID50788857
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)NCc3ccccc3F)c2)C1
InChIInChI=1S/C22H26FN3O2/c1-2-24-22(28)26-12-6-10-19(15-26)16-8-5-9-17(13-16)21(27)25-14-18-7-3-4-11-20(18)23/h3-5,7-9,11,13,19H,2,6,10,12,14-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyZQJKDMBIYOBOLY-UHFFFAOYSA-N
XLogP3.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-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-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide (CID 50788857) is N-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide is CCNC(=O)N1CCCC(c2cccc(C(=O)NCc3ccccc3F)c2)C1.
What is the InChIKey of N-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is ZQJKDMBIYOBOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-2-24-22(28)26-12-6-10-19(15-26)16-8-5-9-17(13-16)21(27)25-14-18-7-3-4-11-20(18)23/h3-5,7-9,11,13,19H,2,6,10,12,14-15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
N-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 50788857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).