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

C24H29Cl2N3O2 — CID 38097310

IUPACN-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C24H29Cl2N3O2/c1-2-3-12-27-24(31)20-6-4-5-7-22(20)28-23(30)17-10-13-29(14-11-17)16-18-8-9-19(25)15-21(18)26/h4-9,15,17H,2-3,10-14,16H2,1H3,(H,27,31)(H,28,30)
InChIKeyBFGPIXATJGDPQK-UHFFFAOYSA-N
MW462.42 g/mol
LogP5.37
Rot. Bonds8

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

N-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 38097310) has the molecular formula C24H29Cl2N3O2 and a molecular weight of 462.42 g/mol. Its IUPAC name is N-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID38097310
Molecular FormulaC24H29Cl2N3O2
Molecular Weight462.42 g/mol
Exact Mass461.16
IUPAC NameN-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C24H29Cl2N3O2/c1-2-3-12-27-24(31)20-6-4-5-7-22(20)28-23(30)17-10-13-29(14-11-17)16-18-8-9-19(25)15-21(18)26/h4-9,15,17H,2-3,10-14,16H2,1H3,(H,27,31)(H,28,30)
InChIKeyBFGPIXATJGDPQK-UHFFFAOYSA-N
XLogP5.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.42
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43923491
N-[2-(butylcarbamoyl)phenyl]-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38153961
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920409
1-[(4-chloro-2-fluorophenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 100685415
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
CID 43923773
N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 17256470
N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925218
N-[2-(benzylcarbamoyl)phenyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45013822
N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921495
1-[(2,4-dichlorophenyl)methyl]-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 43925552
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45016956

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (CID 38097310) is N-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is CCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is BFGPIXATJGDPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O2/c1-2-3-12-27-24(31)20-6-4-5-7-22(20)28-23(30)17-10-13-29(14-11-17)16-18-8-9-19(25)15-21(18)26/h4-9,15,17H,2-3,10-14,16H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
N-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 462.42 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38097310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).