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

C21H24Cl2N2O — CID 43921064

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C21H24Cl2N2O/c1-15-4-6-16(7-5-15)12-24-21(26)18-3-2-10-25(14-18)13-17-8-9-19(22)11-20(17)23/h4-9,11,18H,2-3,10,12-14H2,1H3,(H,24,26)
InChIKeyUAKRZKHRCGVYDD-UHFFFAOYSA-N
MW391.34 g/mol
LogP4.83
Rot. Bonds5

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

1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43921064) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43921064
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C21H24Cl2N2O/c1-15-4-6-16(7-5-15)12-24-21(26)18-3-2-10-25(14-18)13-17-8-9-19(22)11-20(17)23/h4-9,11,18H,2-3,10,12-14H2,1H3,(H,24,26)
InChIKeyUAKRZKHRCGVYDD-UHFFFAOYSA-N
XLogP4.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43918749
1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917427
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
1-[(2,4-dichlorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917689
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43917693
N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924214
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 93490424
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43920949
1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 43920361
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 93490238
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 93490972

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 43921064) is 1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is UAKRZKHRCGVYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-15-4-6-16(7-5-15)12-24-21(26)18-3-2-10-25(14-18)13-17-8-9-19(22)11-20(17)23/h4-9,11,18H,2-3,10,12-14H2,1H3,(H,24,26).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 391.34 g/mol, XLogP of 4.83, 5 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-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43921064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).