N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide

C21H22ClFN2O2 — CID 113007362

IUPACN-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1
InChIInChI=1S/C21H22ClFN2O2/c1-13-10-14(2)19(18(22)11-13)24-20(26)15-6-8-25(9-7-15)21(27)16-4-3-5-17(23)12-16/h3-5,10-12,15H,6-9H2,1-2H3,(H,24,26)
InChIKeySSRVZPGXMNWXCH-UHFFFAOYSA-N
MW388.87 g/mol
LogP4.59
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 113007362) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID113007362
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1
InChIInChI=1S/C21H22ClFN2O2/c1-13-10-14(2)19(18(22)11-13)24-20(26)15-6-8-25(9-7-15)21(27)16-4-3-5-17(23)12-16/h3-5,10-12,15H,6-9H2,1-2H3,(H,24,26)
InChIKeySSRVZPGXMNWXCH-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113007278
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-(2,6-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006519
1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223612
1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 17019069
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113008104
1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17223719
1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17223654

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide (CID 113007362) is N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide is Cc1cc(C)c(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is SSRVZPGXMNWXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c1-13-10-14(2)19(18(22)11-13)24-20(26)15-6-8-25(9-7-15)21(27)16-4-3-5-17(23)12-16/h3-5,10-12,15H,6-9H2,1-2H3,(H,24,26).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 388.87 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).