N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide

C21H23Cl3N2O — CID 46229969

IUPACN-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23Cl3N2O/c1-14(27)25-11-10-15-2-9-21(19-8-5-17(23)12-20(19)24)26(13-15)18-6-3-16(22)4-7-18/h3-8,12,15,21H,2,9-11,13H2,1H3,(H,25,27)/t15-,21-/m0/s1
InChIKeyFIAGELNNSOFVJH-BTYIYWSLSA-N
MW425.79 g/mol
LogP6.13
Rot. Bonds5

About N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide

N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide (PubChem CID 46229969) has the molecular formula C21H23Cl3N2O and a molecular weight of 425.79 g/mol. Its IUPAC name is N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide
PubChem CID46229969
Molecular FormulaC21H23Cl3N2O
Molecular Weight425.79 g/mol
Exact Mass424.09
IUPAC NameN-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23Cl3N2O/c1-14(27)25-11-10-15-2-9-21(19-8-5-17(23)12-20(19)24)26(13-15)18-6-3-16(22)4-7-18/h3-8,12,15,21H,2,9-11,13H2,1H3,(H,25,27)/t15-,21-/m0/s1
InChIKeyFIAGELNNSOFVJH-BTYIYWSLSA-N
XLogP6.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.79
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide (CID 46229969) is N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide is CC(=O)NCC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide?
The InChIKey is FIAGELNNSOFVJH-BTYIYWSLSA-N. The full InChI is InChI=1S/C21H23Cl3N2O/c1-14(27)25-11-10-15-2-9-21(19-8-5-17(23)12-20(19)24)26(13-15)18-6-3-16(22)4-7-18/h3-8,12,15,21H,2,9-11,13H2,1H3,(H,25,27)/t15-,21-/m0/s1.
What are the key properties of N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide?
N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide has a molecular weight of 425.79 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]acetamide is sourced from PubChem (CID 46229969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).