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

C20H22ClFN2O2 — CID 45007817

IUPACN-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C20H22ClFN2O2/c1-26-19-7-6-16(21)12-18(19)23-20(25)14-8-10-24(11-9-14)13-15-4-2-3-5-17(15)22/h2-7,12,14H,8-11,13H2,1H3,(H,23,25)
InChIKeyRKWSEIJCMWYHFE-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.34
Rot. Bonds5

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

N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 45007817) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID45007817
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C20H22ClFN2O2/c1-26-19-7-6-16(21)12-18(19)23-20(25)14-8-10-24(11-9-14)13-15-4-2-3-5-17(15)22/h2-7,12,14H,8-11,13H2,1H3,(H,23,25)
InChIKeyRKWSEIJCMWYHFE-UHFFFAOYSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921495
1-[(4-chloro-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 100684049
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152311
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 45015995
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45016956
N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45008142
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 52682709
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 45016319
N-(2-methoxyphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 37179444
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (CID 45007817) is N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is RKWSEIJCMWYHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-26-19-7-6-16(21)12-18(19)23-20(25)14-8-10-24(11-9-14)13-15-4-2-3-5-17(15)22/h2-7,12,14H,8-11,13H2,1H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 376.86 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45007817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).