2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane

C25H28Cl2N4O3 — CID 142871804

IUPAC2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane
SMILESCC.CC1CN(Cc2cccc(Cl)c2)CCN1C(=O)c1cc2c(C(=O)C(N)=O)c[nH]c2cc1Cl
InChIInChI=1S/C23H22Cl2N4O3.C2H6/c1-13-11-28(12-14-3-2-4-15(24)7-14)5-6-29(13)23(32)17-8-16-18(21(30)22(26)31)10-27-20(16)9-19(17)25;1-2/h2-4,7-10,13,27H,5-6,11-12H2,1H3,(H2,26,31);1-2H3
InChIKeyODZYVWNYGCORJP-UHFFFAOYSA-N
MW503.43 g/mol
LogP4.52
Rot. Bonds5

About 2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane

2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane (PubChem CID 142871804) has the molecular formula C25H28Cl2N4O3 and a molecular weight of 503.43 g/mol. Its IUPAC name is 2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane.

Molecular Properties

Compound Name2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane
PubChem CID142871804
Molecular FormulaC25H28Cl2N4O3
Molecular Weight503.43 g/mol
Exact Mass502.15
IUPAC Name2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane
SMILESCC.CC1CN(Cc2cccc(Cl)c2)CCN1C(=O)c1cc2c(C(=O)C(N)=O)c[nH]c2cc1Cl
InChIInChI=1S/C23H22Cl2N4O3.C2H6/c1-13-11-28(12-14-3-2-4-15(24)7-14)5-6-29(13)23(32)17-8-16-18(21(30)22(26)31)10-27-20(16)9-19(17)25;1-2/h2-4,7-10,13,27H,5-6,11-12H2,1H3,(H2,26,31);1-2H3
InChIKeyODZYVWNYGCORJP-UHFFFAOYSA-N
XLogP4.52
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide
CID 142871798
2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 163736072
2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 58863477
3-[[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]benzoic acid
CID 122029240
2-[1-amino-6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]indol-3-yl]-N-methoxy-N-methyl-2-oxoacetamide;2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methoxy-N-methyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine;methane
CID 158490816
1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine
CID 142871654
2-[5-(4-benzhydryl-2-methylpiperazine-1-carbonyl)-6-chloro-1H-indol-3-yl]-N-methyl-2-oxo-N-prop-2-enylacetamide
CID 21100706
2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide
CID 21100642
1-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 58863446
2-[5-[(5S)-4-benzhydryl-2,5-dimethylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 142871738
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]-2-(3-chlorophenyl)ethanone
CID 120903865
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane?
The IUPAC name of 2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane (CID 142871804) is 2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane.
What is the SMILES notation for 2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane?
The canonical SMILES for 2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane is CC.CC1CN(Cc2cccc(Cl)c2)CCN1C(=O)c1cc2c(C(=O)C(N)=O)c[nH]c2cc1Cl.
What is the InChIKey of 2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane?
The InChIKey is ODZYVWNYGCORJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O3.C2H6/c1-13-11-28(12-14-3-2-4-15(24)7-14)5-6-29(13)23(32)17-8-16-18(21(30)22(26)31)10-27-20(16)9-19(17)25;1-2/h2-4,7-10,13,27H,5-6,11-12H2,1H3,(H2,26,31);1-2H3.
What are the key properties of 2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane?
2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane has a molecular weight of 503.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane is sourced from PubChem (CID 142871804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).