[1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate

C29H28Cl2N4O5 — CID 68564856

About [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate

[1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate (PubChem CID 68564856) has the molecular formula C29H28Cl2N4O5 and a molecular weight of 583.47 g/mol. Its IUPAC name is [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate.

Molecular Properties

• Compound Name: [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate
• PubChem CID: 68564856
• Molecular Formula: C29H28Cl2N4O5
• Molecular Weight: 583.47 g/mol
• Exact Mass: 582.14
• IUPAC Name: [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate
• SMILES: COc1cccc(C(=O)N2CCC(OC(N)=O)CC2)c1NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
• InChI: InChI=1S/C29H28Cl2N4O5/c1-39-24-7-3-6-21(26(36)35-12-10-20(11-13-35)40-28(32)38)25(24)34-29(16-17-4-2-5-18(30)14-17)22-9-8-19(31)15-23(22)33-27(29)37/h2-9,14-15,20,34H,10-13,16H2,1H3,(H2,32,38)(H,33,37)
• InChIKey: DCWNXGZYBZLYLW-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 122.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.47
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate?

The IUPAC name of [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate (CID 68564856) is [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate.

What is the SMILES notation for [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate?

The canonical SMILES for [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate is COc1cccc(C(=O)N2CCC(OC(N)=O)CC2)c1NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21.

What is the InChIKey of [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate?

The InChIKey is DCWNXGZYBZLYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N4O5/c1-39-24-7-3-6-21(26(36)35-12-10-20(11-13-35)40-28(32)38)25(24)34-29(16-17-4-2-5-18(30)14-17)22-9-8-19(31)15-23(22)33-27(29)37/h2-9,14-15,20,34H,10-13,16H2,1H3,(H2,32,38)(H,33,37).

What are the key properties of [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate?

[1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate has a molecular weight of 583.47 g/mol, XLogP of 5.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate is sourced from PubChem (CID 68564856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).