[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate

C25H27Cl2N3O3 — CID 68567017

IUPAC[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate
SMILESO=C(NC1CCC1)OC1CCCN(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1
InChIInChI=1S/C25H27Cl2N3O3/c26-17-5-1-4-16(12-17)14-25(21-10-9-18(27)13-22(21)29-23(25)31)30-11-3-8-20(15-30)33-24(32)28-19-6-2-7-19/h1,4-5,9-10,12-13,19-20H,2-3,6-8,11,14-15H2,(H,28,32)(H,29,31)
InChIKeyOVQDEGHJLJDODY-UHFFFAOYSA-N
MW488.42 g/mol
LogP5.13
Rot. Bonds5

About [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate

[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate (PubChem CID 68567017) has the molecular formula C25H27Cl2N3O3 and a molecular weight of 488.42 g/mol. Its IUPAC name is [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate.

Molecular Properties

Compound Name[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate
PubChem CID68567017
Molecular FormulaC25H27Cl2N3O3
Molecular Weight488.42 g/mol
Exact Mass487.14
IUPAC Name[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate
SMILESO=C(NC1CCC1)OC1CCCN(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1
InChIInChI=1S/C25H27Cl2N3O3/c26-17-5-1-4-16(12-17)14-25(21-10-9-18(27)13-22(21)29-23(25)31)30-11-3-8-20(15-30)33-24(32)28-19-6-2-7-19/h1,4-5,9-10,12-13,19-20H,2-3,6-8,11,14-15H2,(H,28,32)(H,29,31)
InChIKeyOVQDEGHJLJDODY-UHFFFAOYSA-N
XLogP5.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.42
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate?
The IUPAC name of [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate (CID 68567017) is [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate.
What is the SMILES notation for [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate?
The canonical SMILES for [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate is O=C(NC1CCC1)OC1CCCN(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1.
What is the InChIKey of [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate?
The InChIKey is OVQDEGHJLJDODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N3O3/c26-17-5-1-4-16(12-17)14-25(21-10-9-18(27)13-22(21)29-23(25)31)30-11-3-8-20(15-30)33-24(32)28-19-6-2-7-19/h1,4-5,9-10,12-13,19-20H,2-3,6-8,11,14-15H2,(H,28,32)(H,29,31).
What are the key properties of [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate?
[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate has a molecular weight of 488.42 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate is sourced from PubChem (CID 68567017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).