N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C20H22ClFN2O — CID 43921606

IUPACN-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H22ClFN2O/c1-14-4-7-17(21)11-19(14)23-20(25)16-3-2-10-24(13-16)12-15-5-8-18(22)9-6-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeyJMOJJXHJVIMOMU-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.64
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43921606) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43921606
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC NameN-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H22ClFN2O/c1-14-4-7-17(21)11-19(14)23-20(25)16-3-2-10-24(13-16)12-15-5-8-18(22)9-6-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeyJMOJJXHJVIMOMU-UHFFFAOYSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 43921604
N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43926086
N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921605
N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923132
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919136
N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43921598
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921645
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
(3S)-N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9272798
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide
CID 43923845

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 43921606) is N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is JMOJJXHJVIMOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-14-4-7-17(21)11-19(14)23-20(25)16-3-2-10-24(13-16)12-15-5-8-18(22)9-6-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 360.86 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43921606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).