1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide

C23H23FN2O — CID 43919580

IUPAC1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C23H23FN2O/c24-21-12-4-2-8-18(21)15-26-14-6-10-19(16-26)23(27)25-22-13-5-9-17-7-1-3-11-20(17)22/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,25,27)
InChIKeyFMBLFOZKZXUWOP-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.83
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide (PubChem CID 43919580) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
PubChem CID43919580
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C23H23FN2O/c24-21-12-4-2-8-18(21)15-26-14-6-10-19(16-26)23(27)25-22-13-5-9-17-7-1-3-11-20(17)22/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,25,27)
InChIKeyFMBLFOZKZXUWOP-UHFFFAOYSA-N
XLogP4.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43919730
N-(4-fluorophenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921446
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
1-[(2-fluorophenyl)methyl]-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 43924798
N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921605
N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919757
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466
N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43925897
1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 43919659
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919649

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide (CID 43919580) is 1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide is O=C(Nc1cccc2ccccc12)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The InChIKey is FMBLFOZKZXUWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c24-21-12-4-2-8-18(21)15-26-14-6-10-19(16-26)23(27)25-22-13-5-9-17-7-1-3-11-20(17)22/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,25,27).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 43919580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).