4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide

C22H20FN3O2 — CID 78871756

IUPAC4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H20FN3O2/c23-19-8-5-17(6-9-19)21(27)25-11-13-26(14-12-25)22(28)24-20-10-7-16-3-1-2-4-18(16)15-20/h1-10,15H,11-14H2,(H,24,28)
InChIKeyPLCBOGWXPZZDJJ-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.97
Rot. Bonds2

About 4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide

4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide (PubChem CID 78871756) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
PubChem CID78871756
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H20FN3O2/c23-19-8-5-17(6-9-19)21(27)25-11-13-26(14-12-25)22(28)24-20-10-7-16-3-1-2-4-18(16)15-20/h1-10,15H,11-14H2,(H,24,28)
InChIKeyPLCBOGWXPZZDJJ-UHFFFAOYSA-N
XLogP3.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78892976
N-(4-bromophenyl)-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112824347
N-(4-bromo-3-methylphenyl)-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112824486
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-yl-2-oxoacetamide
CID 108514130
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112825359
4-(4-fluorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 112824763
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
CID 38388017
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]naphthalene-2-carboxamide
CID 17111820
naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 43000155
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
N-(4-fluorophenyl)-4-[(3R)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl]piperazine-1-carboxamide
CID 37443338

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide (CID 78871756) is 4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide is O=C(Nc1ccc2ccccc2c1)N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
The InChIKey is PLCBOGWXPZZDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-19-8-5-17(6-9-19)21(27)25-11-13-26(14-12-25)22(28)24-20-10-7-16-3-1-2-4-18(16)15-20/h1-10,15H,11-14H2,(H,24,28).
What are the key properties of 4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 78871756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).