N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide

C20H23FN2O — CID 43921367

IUPACN-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CN2CCCC(C(=O)Nc3ccccc3F)C2)c1
InChIInChI=1S/C20H23FN2O/c1-15-6-4-7-16(12-15)13-23-11-5-8-17(14-23)20(24)22-19-10-3-2-9-18(19)21/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,22,24)
InChIKeyIKHLMGDVBWEHTI-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.98
Rot. Bonds4

About N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide

N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43921367) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43921367
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC NameN-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CN2CCCC(C(=O)Nc3ccccc3F)C2)c1
InChIInChI=1S/C20H23FN2O/c1-15-6-4-7-16(12-15)13-23-11-5-8-17(14-23)20(24)22-19-10-3-2-9-18(19)21/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,22,24)
InChIKeyIKHLMGDVBWEHTI-UHFFFAOYSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921368
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 43921370
N-(3,5-dimethylphenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919218
N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119422659
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924033
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586
1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
CID 43925035
(3R)-1-[(4-fluorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 94022035
N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007035

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide (CID 43921367) is N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide is Cc1cccc(CN2CCCC(C(=O)Nc3ccccc3F)C2)c1.
What is the InChIKey of N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is IKHLMGDVBWEHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-15-6-4-7-16(12-15)13-23-11-5-8-17(14-23)20(24)22-19-10-3-2-9-18(19)21/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,22,24).
What are the key properties of N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43921367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).