[4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate

C30H38Cl2N4O4 — CID 174575199

IUPAC[4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)N(CC(=O)NC1CCN(OC(=O)C(C)(C)C)CC1)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C30H38Cl2N4O4/c1-19(2)36(18-26(37)33-23-11-13-35(14-12-23)40-28(39)29(3,4)5)30(17-20-7-6-8-21(31)15-20)24-10-9-22(32)16-25(24)34-27(30)38/h6-10,15-16,19,23H,11-14,17-18H2,1-5H3,(H,33,37)(H,34,38)
InChIKeyNSBYLRUYJDEIFP-UHFFFAOYSA-N
MW589.56 g/mol
LogP5.18
Rot. Bonds8

About [4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate

[4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174575199) has the molecular formula C30H38Cl2N4O4 and a molecular weight of 589.56 g/mol. Its IUPAC name is [4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174575199
Molecular FormulaC30H38Cl2N4O4
Molecular Weight589.56 g/mol
Exact Mass588.23
IUPAC Name[4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)N(CC(=O)NC1CCN(OC(=O)C(C)(C)C)CC1)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C30H38Cl2N4O4/c1-19(2)36(18-26(37)33-23-11-13-35(14-12-23)40-28(39)29(3,4)5)30(17-20-7-6-8-21(31)15-20)24-10-9-22(32)16-25(24)34-27(30)38/h6-10,15-16,19,23H,11-14,17-18H2,1-5H3,(H,33,37)(H,34,38)
InChIKeyNSBYLRUYJDEIFP-UHFFFAOYSA-N
XLogP5.18
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.56
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-piperidin-4-ylacetamide;propane-2-thiol
CID 143646843
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 57479223
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-pentan-3-ylamino]-N-cyclohexylacetamide
CID 57479231
(4-acetylpiperazin-1-yl) N-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]ethyl]carbamate
CID 68564562
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide
CID 57479175
tert-butyl [4-[[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclobutylcarbamoyl]-methylamino]piperidin-1-yl] carbonate
CID 68561858
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]ethylcarbamic acid;cyclobutane
CID 68562707
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-(3-methylcyclohexyl)amino]-N-cyclobutylacetamide
CID 66991784
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R,3R)-3-methylcyclohexyl]amino]-N-cyclobutylacetamide
CID 57479200
3-[2-aminoethyl(butan-2-yl)amino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 68566776
6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-methylbutan-2-yl-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]amino]-1H-indol-2-one
CID 57479211
2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-4-yl]amino]-N-cyclobutylacetamide
CID 68565549

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate (CID 174575199) is [4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)N(CC(=O)NC1CCN(OC(=O)C(C)(C)C)CC1)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of [4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is NSBYLRUYJDEIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38Cl2N4O4/c1-19(2)36(18-26(37)33-23-11-13-35(14-12-23)40-28(39)29(3,4)5)30(17-20-7-6-8-21(31)15-20)24-10-9-22(32)16-25(24)34-27(30)38/h6-10,15-16,19,23H,11-14,17-18H2,1-5H3,(H,33,37)(H,34,38).
What are the key properties of [4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate?
[4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 589.56 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174575199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).