N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide

C25H27FN4O2 — CID 4067165

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C25H27FN4O2/c1-32-21-8-4-6-19(16-21)25(31)28-18-24(20-7-5-11-27-17-20)30-14-12-29(13-15-30)23-10-3-2-9-22(23)26/h2-11,16-17,24H,12-15,18H2,1H3,(H,28,31)
InChIKeyURLAOTJYDPLTKI-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.52
Rot. Bonds7

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide (PubChem CID 4067165) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide
PubChem CID4067165
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C25H27FN4O2/c1-32-21-8-4-6-19(16-21)25(31)28-18-24(20-7-5-11-27-17-20)30-14-12-29(13-15-30)23-10-3-2-9-22(23)26/h2-11,16-17,24H,12-15,18H2,1H3,(H,28,31)
InChIKeyURLAOTJYDPLTKI-UHFFFAOYSA-N
XLogP3.52
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide 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

4-fluoro-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
CID 94793640
3-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
CID 3240145
2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
CID 27443394
N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(4-methylphenyl)oxamide
CID 94793790
N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
CID 95043708
N'-(3-fluoro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
CID 22517408
N'-(5-chloro-2-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
CID 95043712
N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 92680834
N'-(1,3-benzodioxol-5-yl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
CID 95043704
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 22517341
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-3-methoxybenzamide
CID 27420452
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-3-methoxybenzamide
CID 27420457

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide (CID 4067165) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide?
The InChIKey is URLAOTJYDPLTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-32-21-8-4-6-19(16-21)25(31)28-18-24(20-7-5-11-27-17-20)30-14-12-29(13-15-30)23-10-3-2-9-22(23)26/h2-11,16-17,24H,12-15,18H2,1H3,(H,28,31).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide has a molecular weight of 434.52 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide is sourced from PubChem (CID 4067165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).