N-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide

C25H27F4N3O2 — CID 70644222

IUPACN-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2F)c1)C1CCN(C(=O)[C@@H]2CCCN2CC(F)(F)F)CC1
InChIInChI=1S/C25H27F4N3O2/c26-21-8-2-1-7-20(21)18-5-3-6-19(15-18)30-23(33)17-10-13-31(14-11-17)24(34)22-9-4-12-32(22)16-25(27,28)29/h1-3,5-8,15,17,22H,4,9-14,16H2,(H,30,33)/t22-/m0/s1
InChIKeyGXOHDICQKOMXDJ-QFIPXVFZSA-N
MW477.50 g/mol
LogP4.70
Rot. Bonds5

About N-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide

N-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 70644222) has the molecular formula C25H27F4N3O2 and a molecular weight of 477.50 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide
PubChem CID70644222
Molecular FormulaC25H27F4N3O2
Molecular Weight477.50 g/mol
Exact Mass477.20
IUPAC NameN-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2F)c1)C1CCN(C(=O)[C@@H]2CCCN2CC(F)(F)F)CC1
InChIInChI=1S/C25H27F4N3O2/c26-21-8-2-1-7-20(21)18-5-3-6-19(15-18)30-23(33)17-10-13-31(14-11-17)24(34)22-9-4-12-32(22)16-25(27,28)29/h1-3,5-8,15,17,22H,4,9-14,16H2,(H,30,33)/t22-/m0/s1
InChIKeyGXOHDICQKOMXDJ-QFIPXVFZSA-N
XLogP4.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]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

Related Compounds

N-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 70644405
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 35521938
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120549857
1-(oxane-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007795
N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 45203674
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-(cyclopropanecarbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 26880034
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide (CID 70644222) is N-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2ccccc2F)c1)C1CCN(C(=O)[C@@H]2CCCN2CC(F)(F)F)CC1.
What is the InChIKey of N-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is GXOHDICQKOMXDJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27F4N3O2/c26-21-8-2-1-7-20(21)18-5-3-6-19(15-18)30-23(33)17-10-13-31(14-11-17)24(34)22-9-4-12-32(22)16-25(27,28)29/h1-3,5-8,15,17,22H,4,9-14,16H2,(H,30,33)/t22-/m0/s1.
What are the key properties of N-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
N-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)phenyl]-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 70644222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).