4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide

C22H21FN4O — CID 138674290

IUPAC4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCN(c2ccc(-c3ccccc3F)cc2)CC1
InChIInChI=1S/C22H21FN4O/c23-21-6-2-1-5-20(21)17-7-9-19(10-8-17)26-12-14-27(15-13-26)22(28)25-18-4-3-11-24-16-18/h1-11,16H,12-15H2,(H,25,28)
InChIKeyDPBFRRWZBOAOQF-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.24
Rot. Bonds3

About 4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide

4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 138674290) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID138674290
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCN(c2ccc(-c3ccccc3F)cc2)CC1
InChIInChI=1S/C22H21FN4O/c23-21-6-2-1-5-20(21)17-7-9-19(10-8-17)26-12-14-27(15-13-26)22(28)25-18-4-3-11-24-16-18/h1-11,16H,12-15H2,(H,25,28)
InChIKeyDPBFRRWZBOAOQF-UHFFFAOYSA-N
XLogP4.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide
CID 138674452
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
4-(4-fluorophenyl)-N-[1-oxo-1-(pyridin-3-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 53370495
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
N-phenyl-4-pyridin-3-yl-1,4-diazepane-1-carboxamide
CID 118068179
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674351
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 11552354
N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 167907588
2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate
CID 138674272
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640
N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide
CID 134802336

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide (CID 138674290) is 4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide is O=C(Nc1cccnc1)N1CCN(c2ccc(-c3ccccc3F)cc2)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is DPBFRRWZBOAOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-21-6-2-1-5-20(21)17-7-9-19(10-8-17)26-12-14-27(15-13-26)22(28)25-18-4-3-11-24-16-18/h1-11,16H,12-15H2,(H,25,28).
What are the key properties of 4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 138674290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).