1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide

C23H22Cl2N2O — CID 43919622

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H22Cl2N2O/c24-20-7-5-19(22(25)14-20)15-27-11-9-17(10-12-27)23(28)26-21-8-6-16-3-1-2-4-18(16)13-21/h1-8,13-14,17H,9-12,15H2,(H,26,28)
InChIKeyHIWFKERLFNCQEN-UHFFFAOYSA-N
MW413.35 g/mol
LogP6.00
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide (PubChem CID 43919622) has the molecular formula C23H22Cl2N2O and a molecular weight of 413.35 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
PubChem CID43919622
Molecular FormulaC23H22Cl2N2O
Molecular Weight413.35 g/mol
Exact Mass412.11
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H22Cl2N2O/c24-20-7-5-19(22(25)14-20)15-27-11-9-17(10-12-27)23(28)26-21-8-6-16-3-1-2-4-18(16)13-21/h1-8,13-14,17H,9-12,15H2,(H,26,28)
InChIKeyHIWFKERLFNCQEN-UHFFFAOYSA-N
XLogP6.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.35
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 45016892
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697
N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43924255
N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284665
1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 45007066
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920409
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100533151
1-[(2,4-dichlorophenyl)methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 53284614
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
CID 43923773
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide (CID 43919622) is 1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide is O=C(Nc1ccc2ccccc2c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide?
The InChIKey is HIWFKERLFNCQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O/c24-20-7-5-19(22(25)14-20)15-27-11-9-17(10-12-27)23(28)26-21-8-6-16-3-1-2-4-18(16)13-21/h1-8,13-14,17H,9-12,15H2,(H,26,28).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide has a molecular weight of 413.35 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 43919622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).