N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide

C24H22ClFN4O2 — CID 24995162

IUPACN-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c1)c1cnccn1
InChIInChI=1S/C24H22ClFN4O2/c25-21-6-5-19(29-23(31)22-15-27-9-10-28-22)14-20(21)24(32)30-11-7-17(8-12-30)13-16-1-3-18(26)4-2-16/h1-6,9-10,14-15,17H,7-8,11-13H2,(H,29,31)
InChIKeyFOEAFLAMWRFIMP-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.62
Rot. Bonds5

About N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide

N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide (PubChem CID 24995162) has the molecular formula C24H22ClFN4O2 and a molecular weight of 452.92 g/mol. Its IUPAC name is N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide
PubChem CID24995162
Molecular FormulaC24H22ClFN4O2
Molecular Weight452.92 g/mol
Exact Mass452.14
IUPAC NameN-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c1)c1cnccn1
InChIInChI=1S/C24H22ClFN4O2/c25-21-6-5-19(29-23(31)22-15-27-9-10-28-22)14-20(21)24(32)30-11-7-17(8-12-30)13-16-1-3-18(26)4-2-16/h1-6,9-10,14-15,17H,7-8,11-13H2,(H,29,31)
InChIKeyFOEAFLAMWRFIMP-UHFFFAOYSA-N
XLogP4.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 18538900
3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138996907
N-(4-fluorophenyl)-1-methyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 95815275
N-[4-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidine-1-carbonyl)phenyl]-4-fluorobenzamide
CID 4209218
(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102830
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 71179713
N-(4-fluorophenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081738
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide
CID 138530050
N-(4-fluorophenyl)-1-methyl-3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637540
(E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane
CID 142871656
N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636802
(6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 70706949

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide (CID 24995162) is N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(Cl)c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c1)c1cnccn1.
What is the InChIKey of N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is FOEAFLAMWRFIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O2/c25-21-6-5-19(29-23(31)22-15-27-9-10-28-22)14-20(21)24(32)30-11-7-17(8-12-30)13-16-1-3-18(26)4-2-16/h1-6,9-10,14-15,17H,7-8,11-13H2,(H,29,31).
What are the key properties of N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide?
N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 452.92 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 24995162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).