N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide

C25H23Cl3N2O2 — CID 58956953

IUPACN-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H23Cl3N2O2/c26-18-8-6-17(7-9-18)24-15-20(29-25(31)16-32-21-4-2-1-3-5-21)12-13-30(24)23-11-10-19(27)14-22(23)28/h1-11,14,20,24H,12-13,15-16H2,(H,29,31)/t20?,24-/m0/s1
InChIKeyRXYSYXWQPVFURA-JWIMYKKASA-N
MW489.83 g/mol
LogP6.55
Rot. Bonds6

About N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide

N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide (PubChem CID 58956953) has the molecular formula C25H23Cl3N2O2 and a molecular weight of 489.83 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide
PubChem CID58956953
Molecular FormulaC25H23Cl3N2O2
Molecular Weight489.83 g/mol
Exact Mass488.08
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H23Cl3N2O2/c26-18-8-6-17(7-9-18)24-15-20(29-25(31)16-32-21-4-2-1-3-5-21)12-13-30(24)23-11-10-19(27)14-22(23)28/h1-11,14,20,24H,12-13,15-16H2,(H,29,31)/t20?,24-/m0/s1
InChIKeyRXYSYXWQPVFURA-JWIMYKKASA-N
XLogP6.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.83
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide
CID 71176016
N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide
CID 143508644
2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol
CID 24862921
2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
CID 24863936
2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol
CID 24862922
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108561475
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 24862762
2-(4-chlorophenoxy)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108554314
N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide
CID 71176163
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine
CID 24863080

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide (CID 58956953) is N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide?
The InChIKey is RXYSYXWQPVFURA-JWIMYKKASA-N. The full InChI is InChI=1S/C25H23Cl3N2O2/c26-18-8-6-17(7-9-18)24-15-20(29-25(31)16-32-21-4-2-1-3-5-21)12-13-30(24)23-11-10-19(27)14-22(23)28/h1-11,14,20,24H,12-13,15-16H2,(H,29,31)/t20?,24-/m0/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide?
N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide has a molecular weight of 489.83 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide is sourced from PubChem (CID 58956953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).