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

C22H24ClFN2O3 — CID 55630456

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C22H24ClFN2O3/c1-25(14-18-19(23)8-5-9-20(18)24)22(28)16-10-12-26(13-11-16)21(27)15-29-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3
InChIKeyINLWWTZBPIFYNO-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.76
Rot. Bonds6

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

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55630456) has the molecular formula C22H24ClFN2O3 and a molecular weight of 418.90 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55630456
Molecular FormulaC22H24ClFN2O3
Molecular Weight418.90 g/mol
Exact Mass418.15
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C22H24ClFN2O3/c1-25(14-18-19(23)8-5-9-20(18)24)22(28)16-10-12-26(13-11-16)21(27)15-29-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3
InChIKeyINLWWTZBPIFYNO-UHFFFAOYSA-N
XLogP3.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631044
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 30278857
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 31287206
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 60579640
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119267724
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
N-cyclopropyl-N-(4-methylcyclohexyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55632173
N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901386
2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974416
phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate
CID 60628603
N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633091
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55630456) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is INLWWTZBPIFYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O3/c1-25(14-18-19(23)8-5-9-20(18)24)22(28)16-10-12-26(13-11-16)21(27)15-29-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 418.90 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55630456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).