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

C21H24Cl2N2O — CID 43919301

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C21H24Cl2N2O/c1-2-15-6-3-4-8-20(15)24-21(26)17-7-5-11-25(14-17)13-16-9-10-18(22)12-19(16)23/h3-4,6,8-10,12,17H,2,5,7,11,13-14H2,1H3,(H,24,26)
InChIKeyDUYZZJJUWQTMIN-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.41
Rot. Bonds5

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

1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide (PubChem CID 43919301) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
PubChem CID43919301
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C21H24Cl2N2O/c1-2-15-6-3-4-8-20(15)24-21(26)17-7-5-11-25(14-17)13-16-9-10-18(22)12-19(16)23/h3-4,6,8-10,12,17H,2,5,7,11,13-14H2,1H3,(H,24,26)
InChIKeyDUYZZJJUWQTMIN-UHFFFAOYSA-N
XLogP5.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491505
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563
1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43926100
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperidine-3-carboxamide
CID 93490992
N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43921598
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464
1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 43920361
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 93490972
(3R)-N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491426
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43919181
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 93490424
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide (CID 43919301) is 1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide is CCc1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide?
The InChIKey is DUYZZJJUWQTMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-2-15-6-3-4-8-20(15)24-21(26)17-7-5-11-25(14-17)13-16-9-10-18(22)12-19(16)23/h3-4,6,8-10,12,17H,2,5,7,11,13-14H2,1H3,(H,24,26).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide has a molecular weight of 391.34 g/mol, XLogP of 5.41, 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-(2-ethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43919301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).