N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide

C19H18Cl4N2O — CID 43920409

IUPACN-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H18Cl4N2O/c20-14-2-1-13(17(23)9-14)11-25-7-5-12(6-8-25)19(26)24-18-10-15(21)3-4-16(18)22/h1-4,9-10,12H,5-8,11H2,(H,24,26)
InChIKeyGFVODJAQSLQWHM-UHFFFAOYSA-N
MW432.18 g/mol
LogP6.15
Rot. Bonds4

About N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide

N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 43920409) has the molecular formula C19H18Cl4N2O and a molecular weight of 432.18 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID43920409
Molecular FormulaC19H18Cl4N2O
Molecular Weight432.18 g/mol
Exact Mass430.02
IUPAC NameN-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H18Cl4N2O/c20-14-2-1-13(17(23)9-14)11-25-7-5-12(6-8-25)19(26)24-18-10-15(21)3-4-16(18)22/h1-4,9-10,12H,5-8,11H2,(H,24,26)
InChIKeyGFVODJAQSLQWHM-UHFFFAOYSA-N
XLogP6.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.18
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921495
N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43924255
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 52682709
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
CID 43923773
1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919622
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697
1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 100569696
N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284665
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperidine-3-carboxamide
CID 93490992
1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43926100

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (CID 43920409) is N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GFVODJAQSLQWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl4N2O/c20-14-2-1-13(17(23)9-14)11-25-7-5-12(6-8-25)19(26)24-18-10-15(21)3-4-16(18)22/h1-4,9-10,12H,5-8,11H2,(H,24,26).
What are the key properties of N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 432.18 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43920409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).