N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide

C22H25Cl3N2O — CID 46773335

IUPACN-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C22H25Cl3N2O/c23-19-6-2-1-4-17(19)5-3-11-26-22(28)18-9-12-27(13-10-18)15-16-7-8-20(24)21(25)14-16/h1-2,4,6-8,14,18H,3,5,9-13,15H2,(H,26,28)
InChIKeyGVYFIGDKVDOWFT-UHFFFAOYSA-N
MW439.81 g/mol
LogP5.61
Rot. Bonds7

About N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide

N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 46773335) has the molecular formula C22H25Cl3N2O and a molecular weight of 439.81 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID46773335
Molecular FormulaC22H25Cl3N2O
Molecular Weight439.81 g/mol
Exact Mass438.10
IUPAC NameN-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C22H25Cl3N2O/c23-19-6-2-1-4-17(19)5-3-11-26-22(28)18-9-12-27(13-10-18)15-16-7-8-20(24)21(25)14-16/h1-2,4,6-8,14,18H,3,5,9-13,15H2,(H,26,28)
InChIKeyGVYFIGDKVDOWFT-UHFFFAOYSA-N
XLogP5.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.81
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
1-[(3,4-dichlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46773556
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 46773354
N-(2-tert-butylsulfanylethyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43922756
N-[3-(2-chlorophenyl)propyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38140582
1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 38102463
N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016925
N-[3-(4-chlorophenyl)propyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 46773378
1-[(3,4-dichlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 43922594
1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide
CID 46765175

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide (CID 46773335) is N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide is O=C(NCCCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GVYFIGDKVDOWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl3N2O/c23-19-6-2-1-4-17(19)5-3-11-26-22(28)18-9-12-27(13-10-18)15-16-7-8-20(24)21(25)14-16/h1-2,4,6-8,14,18H,3,5,9-13,15H2,(H,26,28).
What are the key properties of N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 439.81 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46773335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).