N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide

C20H21BrCl2N2O — CID 43922058

IUPACN-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(Cc3c(Cl)cccc3Cl)C2)ccc1Br
InChIInChI=1S/C20H21BrCl2N2O/c1-13-10-15(7-8-17(13)21)24-20(26)14-4-3-9-25(11-14)12-16-18(22)5-2-6-19(16)23/h2,5-8,10,14H,3-4,9,11-12H2,1H3,(H,24,26)
InChIKeyBJARIKKFBXCLNT-UHFFFAOYSA-N
MW456.21 g/mol
LogP5.92
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide

N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43922058) has the molecular formula C20H21BrCl2N2O and a molecular weight of 456.21 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43922058
Molecular FormulaC20H21BrCl2N2O
Molecular Weight456.21 g/mol
Exact Mass454.02
IUPAC NameN-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(Cc3c(Cl)cccc3Cl)C2)ccc1Br
InChIInChI=1S/C20H21BrCl2N2O/c1-13-10-15(7-8-17(13)21)24-20(26)14-4-3-9-25(11-14)12-16-18(22)5-2-6-19(16)23/h2,5-8,10,14H,3-4,9,11-12H2,1H3,(H,24,26)
InChIKeyBJARIKKFBXCLNT-UHFFFAOYSA-N
XLogP5.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.21
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490450
N-(4-bromo-3-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43922053
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925323
1-[(2,6-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919691
N-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933730
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919230
N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924875
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925169
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 43922058) is N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(Cc3c(Cl)cccc3Cl)C2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is BJARIKKFBXCLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrCl2N2O/c1-13-10-15(7-8-17(13)21)24-20(26)14-4-3-9-25(11-14)12-16-18(22)5-2-6-19(16)23/h2,5-8,10,14H,3-4,9,11-12H2,1H3,(H,24,26).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 456.21 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43922058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).