1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide

C20H22ClFN2O — CID 45009865

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1
InChIInChI=1S/C20H22ClFN2O/c1-14-5-7-16(8-6-14)23-20(25)15-9-11-24(12-10-15)13-17-18(21)3-2-4-19(17)22/h2-8,15H,9-13H2,1H3,(H,23,25)
InChIKeyLVDBJCQOHXPKNG-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.64
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide (PubChem CID 45009865) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
PubChem CID45009865
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1
InChIInChI=1S/C20H22ClFN2O/c1-14-5-7-16(8-6-14)23-20(25)15-9-11-24(12-10-15)13-17-18(21)3-2-4-19(17)22/h2-8,15H,9-13H2,1H3,(H,23,25)
InChIKeyLVDBJCQOHXPKNG-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-[(2-chloro-6-fluorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 40921987
1-[(2-chloro-6-fluorophenyl)methyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 100684267
1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 45007066
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 45013321
1-[(2-chloro-6-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776174
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 45018841
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 53284671
1-[(2-chloro-6-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 45011773
1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45021735
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249339
N-(3-carbamoyl-2-methylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53284599
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide (CID 45009865) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is LVDBJCQOHXPKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-14-5-7-16(8-6-14)23-20(25)15-9-11-24(12-10-15)13-17-18(21)3-2-4-19(17)22/h2-8,15H,9-13H2,1H3,(H,23,25).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-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 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 45009865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).