2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide

C22H23ClN4O3 — CID 58467530

IUPAC2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide
SMILESC[C@@H]1CN(c2ccc(Cl)cc2)CCN1C(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)C2
InChIInChI=1S/C22H23ClN4O3/c1-14-13-26(18-7-4-16(23)5-8-18)9-10-27(14)22(30)21(29)24-17-6-3-15-11-20(28)25(2)19(15)12-17/h3-8,12,14H,9-11,13H2,1-2H3,(H,24,29)/t14-/m1/s1
InChIKeyOBUVMWGXBFXFJF-CQSZACIVSA-N
MW426.90 g/mol
LogP2.53
Rot. Bonds2

About 2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide

2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide (PubChem CID 58467530) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide
PubChem CID58467530
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide
SMILESC[C@@H]1CN(c2ccc(Cl)cc2)CCN1C(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)C2
InChIInChI=1S/C22H23ClN4O3/c1-14-13-26(18-7-4-16(23)5-8-18)9-10-27(14)22(30)21(29)24-17-6-3-15-11-20(28)25(2)19(15)12-17/h3-8,12,14H,9-11,13H2,1-2H3,(H,24,29)/t14-/m1/s1
InChIKeyOBUVMWGXBFXFJF-CQSZACIVSA-N
XLogP2.53
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-[(2R)-4-(4-chloro-3,5-difluorophenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
CID 58467631
6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
CID 58467626
2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide
CID 58467769
2-[(2R)-4-(5-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58350736
2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide
CID 58467672
2-[(3R)-4-(4-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide
CID 58467534
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide
CID 58350689
2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467550
2-[4-(4-fluoro-3-hydroxyphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 143532041
5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one
CID 53160576
2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 25196007
2-[(2R,5R)-4-(4-chloro-3-fluorophenyl)-2,5-dimethylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467791

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide?
The IUPAC name of 2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide (CID 58467530) is 2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide?
The canonical SMILES for 2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide is C[C@@H]1CN(c2ccc(Cl)cc2)CCN1C(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)C2.
What is the InChIKey of 2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide?
The InChIKey is OBUVMWGXBFXFJF-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-14-13-26(18-7-4-16(23)5-8-18)9-10-27(14)22(30)21(29)24-17-6-3-15-11-20(28)25(2)19(15)12-17/h3-8,12,14H,9-11,13H2,1-2H3,(H,24,29)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide?
2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide has a molecular weight of 426.90 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide is sourced from PubChem (CID 58467530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).