N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide

C19H18Cl3N3O3 — CID 43926130

IUPACN-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H18Cl3N3O3/c20-15-4-1-5-16(21)14(15)11-24-8-2-3-12(10-24)19(26)23-18-9-13(25(27)28)6-7-17(18)22/h1,4-7,9,12H,2-3,8,10-11H2,(H,23,26)
InChIKeyBDQPGSPSZVTKDD-UHFFFAOYSA-N
MW442.73 g/mol
LogP5.41
Rot. Bonds5

About N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide

N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43926130) has the molecular formula C19H18Cl3N3O3 and a molecular weight of 442.73 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43926130
Molecular FormulaC19H18Cl3N3O3
Molecular Weight442.73 g/mol
Exact Mass441.04
IUPAC NameN-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H18Cl3N3O3/c20-15-4-1-5-16(21)14(15)11-24-8-2-3-12(10-24)19(26)23-18-9-13(25(27)28)6-7-17(18)22/h1,4-7,9,12H,2-3,8,10-11H2,(H,23,26)
InChIKeyBDQPGSPSZVTKDD-UHFFFAOYSA-N
XLogP5.41
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
N-(2-chloro-5-nitrophenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933853
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-chloro-5-nitrophenyl)piperidine-3-carboxamide
CID 43932158
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 93490793
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperidine-3-carboxamide
CID 93490992
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide
CID 93491876
(3R)-N-(2-chloro-5-nitrophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156272
N-(2-methoxy-5-nitrophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923801
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
CID 100778503

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 43926130) is N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is BDQPGSPSZVTKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O3/c20-15-4-1-5-16(21)14(15)11-24-8-2-3-12(10-24)19(26)23-18-9-13(25(27)28)6-7-17(18)22/h1,4-7,9,12H,2-3,8,10-11H2,(H,23,26).
What are the key properties of N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide?
N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 442.73 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43926130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).