2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone

C21H26ClN3O — CID 163854147

IUPAC2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone
SMILESCCc1cc(C)ccc1N1CCN(C(=O)CN)C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN3O/c1-3-16-12-15(2)4-9-19(16)25-11-10-24(21(26)13-23)14-20(25)17-5-7-18(22)8-6-17/h4-9,12,20H,3,10-11,13-14,23H2,1-2H3/t20-/m0/s1
InChIKeyOWWIKDXJDSXPJI-FQEVSTJZSA-N
MW371.91 g/mol
LogP3.56
Rot. Bonds4

About 2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone

2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 163854147) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone
PubChem CID163854147
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone
SMILESCCc1cc(C)ccc1N1CCN(C(=O)CN)C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN3O/c1-3-16-12-15(2)4-9-19(16)25-11-10-24(21(26)13-23)14-20(25)17-5-7-18(22)8-6-17/h4-9,12,20H,3,10-11,13-14,23H2,1-2H3/t20-/m0/s1
InChIKeyOWWIKDXJDSXPJI-FQEVSTJZSA-N
XLogP3.56
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 143237547
1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 88860137
3-[4-(2-amino-4-chlorophenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-oxopropanoic acid
CID 166034025
(2S)-2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]butan-1-one
CID 143237811
[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 143237963
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 59261689
2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone
CID 59261888
1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 59261899
2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone
CID 59261898
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 59261795
2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]ethanone
CID 59261653

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone (CID 163854147) is 2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone is CCc1cc(C)ccc1N1CCN(C(=O)CN)C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is OWWIKDXJDSXPJI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-3-16-12-15(2)4-9-19(16)25-11-10-24(21(26)13-23)14-20(25)17-5-7-18(22)8-6-17/h4-9,12,20H,3,10-11,13-14,23H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone?
2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 371.91 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 163854147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).