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

C20H21Cl2N3O2 — CID 53284665

IUPACN-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1
InChIInChI=1S/C20H21Cl2N3O2/c21-16-5-4-15(18(22)11-16)12-25-8-6-13(7-9-25)20(27)24-17-3-1-2-14(10-17)19(23)26/h1-5,10-11,13H,6-9,12H2,(H2,23,26)(H,24,27)
InChIKeySVEGBBKCVCKENQ-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.94
Rot. Bonds5

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

N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 53284665) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID53284665
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC NameN-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1
InChIInChI=1S/C20H21Cl2N3O2/c21-16-5-4-15(18(22)11-16)12-25-8-6-13(7-9-25)20(27)24-17-3-1-2-14(10-17)19(23)26/h1-5,10-11,13H,6-9,12H2,(H2,23,26)(H,24,27)
InChIKeySVEGBBKCVCKENQ-UHFFFAOYSA-N
XLogP3.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919622
N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43924255
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
CID 43923773
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-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811
1-[(2,4-dichlorophenyl)methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 53284614
1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 38096708
1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100533151
N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921495

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (CID 53284665) is N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is NC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is SVEGBBKCVCKENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c21-16-5-4-15(18(22)11-16)12-25-8-6-13(7-9-25)20(27)24-17-3-1-2-14(10-17)19(23)26/h1-5,10-11,13H,6-9,12H2,(H2,23,26)(H,24,27).
What are the key properties of N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 406.31 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53284665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).