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

C21H24Cl2N2O — CID 93490972

IUPAC(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C21H24Cl2N2O/c1-2-15-5-9-19(10-6-15)24-21(26)17-4-3-11-25(14-17)13-16-7-8-18(22)12-20(16)23/h5-10,12,17H,2-4,11,13-14H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyMZYSZPSUMHJDSX-KRWDZBQOSA-N
MW391.34 g/mol
LogP5.41
Rot. Bonds5

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

(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide (PubChem CID 93490972) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
PubChem CID93490972
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C21H24Cl2N2O/c1-2-15-5-9-19(10-6-15)24-21(26)17-4-3-11-25(14-17)13-16-7-8-18(22)12-20(16)23/h5-10,12,17H,2-4,11,13-14H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyMZYSZPSUMHJDSX-KRWDZBQOSA-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

1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 43920361
ethyl 4-[[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 93490741
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 93490651
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43925020
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 93490424
methyl 2-chloro-5-[[1-[(2,4-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43925089
1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 43919301
N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924876
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
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43919181

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide (CID 93490972) is (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide is CCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1.
What is the InChIKey of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide?
The InChIKey is MZYSZPSUMHJDSX-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-2-15-5-9-19(10-6-15)24-21(26)17-4-3-11-25(14-17)13-16-7-8-18(22)12-20(16)23/h5-10,12,17H,2-4,11,13-14H2,1H3,(H,24,26)/t17-/m0/s1.
What are the key properties of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide?
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-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 (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93490972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).