N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C24H23FN2O4S — CID 55429991

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C24H23FN2O4S/c1-32(30,31)18-9-10-21(25)22(15-18)26-23(28)17-11-13-27(14-12-17)24(29)20-8-4-6-16-5-2-3-7-19(16)20/h2-10,15,17H,11-14H2,1H3,(H,26,28)
InChIKeySJQNFQWGNYPODU-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.87
Rot. Bonds4

About N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55429991) has the molecular formula C24H23FN2O4S and a molecular weight of 454.52 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID55429991
Molecular FormulaC24H23FN2O4S
Molecular Weight454.52 g/mol
Exact Mass454.14
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C24H23FN2O4S/c1-32(30,31)18-9-10-21(25)22(15-18)26-23(28)17-11-13-27(14-12-17)24(29)20-8-4-6-16-5-2-3-7-19(16)20/h2-10,15,17H,11-14H2,1H3,(H,26,28)
InChIKeySJQNFQWGNYPODU-UHFFFAOYSA-N
XLogP3.87
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396109
N-(4-fluoro-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25492477
N-(2,4-dichlorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25479669
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide
CID 31929476
1-(naphthalene-1-carbonyl)-N-(3-sulfamoylphenyl)piperidine-4-carboxamide
CID 27396106
N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 120568777
N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55780129
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55898961
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
N-[[2-(methanesulfonamido)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55723581

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 55429991) is N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is CS(=O)(=O)c1ccc(F)c(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is SJQNFQWGNYPODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4S/c1-32(30,31)18-9-10-21(25)22(15-18)26-23(28)17-11-13-27(14-12-17)24(29)20-8-4-6-16-5-2-3-7-19(16)20/h2-10,15,17H,11-14H2,1H3,(H,26,28).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 454.52 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55429991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).