[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-(2-morpholin-4-ylethyl)carbamate

C27H32Cl2N4O4 — CID 68561790

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

[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-(2-morpholin-4-ylethyl)carbamate (PubChem CID 68561790) has the molecular formula C27H32Cl2N4O4 and a molecular weight of 547.48 g/mol. Its IUPAC name is [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-(2-morpholin-4-ylethyl)carbamate.

Molecular Properties

• Compound Name: [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-(2-morpholin-4-ylethyl)carbamate
• PubChem CID: 68561790
• Molecular Formula: C27H32Cl2N4O4
• Molecular Weight: 547.48 g/mol
• Exact Mass: 546.18
• IUPAC Name: [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-(2-morpholin-4-ylethyl)carbamate
• SMILES: O=C(NCCN1CCOCC1)OC1CCCN(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1
• InChI: InChI=1S/C27H32Cl2N4O4/c28-20-4-1-3-19(15-20)17-27(23-7-6-21(29)16-24(23)31-25(27)34)33-9-2-5-22(18-33)37-26(35)30-8-10-32-11-13-36-14-12-32/h1,3-4,6-7,15-16,22H,2,5,8-14,17-18H2,(H,30,35)(H,31,34)
• InChIKey: KZMXNSPMGCJEFV-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.48
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-(2-morpholin-4-ylethyl)carbamate?

The IUPAC name of [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-(2-morpholin-4-ylethyl)carbamate (CID 68561790) is [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-(2-morpholin-4-ylethyl)carbamate.

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

The canonical SMILES for [1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-(2-morpholin-4-ylethyl)carbamate is O=C(NCCN1CCOCC1)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-(2-morpholin-4-ylethyl)carbamate?

The InChIKey is KZMXNSPMGCJEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2N4O4/c28-20-4-1-3-19(15-20)17-27(23-7-6-21(29)16-24(23)31-25(27)34)33-9-2-5-22(18-33)37-26(35)30-8-10-32-11-13-36-14-12-32/h1,3-4,6-7,15-16,22H,2,5,8-14,17-18H2,(H,30,35)(H,31,34).

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

[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-(2-morpholin-4-ylethyl)carbamate has a molecular weight of 547.48 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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-(2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 68561790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).