(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide

C19H19Cl3N2O — CID 93490507

IUPAC(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H19Cl3N2O/c20-15-7-3-8-16(21)14(15)12-24-10-4-5-13(11-24)19(25)23-18-9-2-1-6-17(18)22/h1-3,6-9,13H,4-5,10-12H2,(H,23,25)/t13-/m1/s1
InChIKeyIATUZIVEAPMMRV-CYBMUJFWSA-N
MW397.73 g/mol
LogP5.50
Rot. Bonds4

About (3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide

(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 93490507) has the molecular formula C19H19Cl3N2O and a molecular weight of 397.73 g/mol. Its IUPAC name is (3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID93490507
Molecular FormulaC19H19Cl3N2O
Molecular Weight397.73 g/mol
Exact Mass396.06
IUPAC Name(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H19Cl3N2O/c20-15-7-3-8-16(21)14(15)12-24-10-4-5-13(11-24)19(25)23-18-9-2-1-6-17(18)22/h1-3,6-9,13H,4-5,10-12H2,(H,23,25)/t13-/m1/s1
InChIKeyIATUZIVEAPMMRV-CYBMUJFWSA-N
XLogP5.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.73
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43920134
N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43926130
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919379
1-[(2,6-dichlorophenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923606
1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
CID 133159221
1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 43921762
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43923934

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 93490507) is (3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide is O=C(Nc1ccccc1Cl)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of (3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is IATUZIVEAPMMRV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19Cl3N2O/c20-15-7-3-8-16(21)14(15)12-24-10-4-5-13(11-24)19(25)23-18-9-2-1-6-17(18)22/h1-3,6-9,13H,4-5,10-12H2,(H,23,25)/t13-/m1/s1.
What are the key properties of (3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide?
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 397.73 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 93490507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).