N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide

C20H23FN2O — CID 43921368

IUPACN-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CN2CCCC(C(=O)Nc3ccccc3F)C2)cc1
InChIInChI=1S/C20H23FN2O/c1-15-8-10-16(11-9-15)13-23-12-4-5-17(14-23)20(24)22-19-7-3-2-6-18(19)21/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,22,24)
InChIKeyDRWCJVQTMLVMHX-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.98
Rot. Bonds4

About N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide

N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43921368) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43921368
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC NameN-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CN2CCCC(C(=O)Nc3ccccc3F)C2)cc1
InChIInChI=1S/C20H23FN2O/c1-15-8-10-16(11-9-15)13-23-12-4-5-17(14-23)20(24)22-19-7-3-2-6-18(19)21/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,22,24)
InChIKeyDRWCJVQTMLVMHX-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-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921367
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 43921370
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919136
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43924979
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921645
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923132
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490949
1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923600

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 43921368) is N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(CN2CCCC(C(=O)Nc3ccccc3F)C2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is DRWCJVQTMLVMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-15-8-10-16(11-9-15)13-23-12-4-5-17(14-23)20(24)22-19-7-3-2-6-18(19)21/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,22,24).
What are the key properties of N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
N-(2-fluorophenyl)-1-[(4-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-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43921368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).