6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one

C25H27Cl2N3O3 — CID 11998151

About 6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one

6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one (PubChem CID 11998151) has the molecular formula C25H27Cl2N3O3 and a molecular weight of 488.42 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one.

Molecular Properties

• Compound Name: 6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one
• PubChem CID: 11998151
• Molecular Formula: C25H27Cl2N3O3
• Molecular Weight: 488.42 g/mol
• Exact Mass: 487.14
• IUPAC Name: 6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one
• SMILES: O=C(N1CCOCC1)N1CCCC(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1
• InChI: InChI=1S/C25H27Cl2N3O3/c26-19-5-1-3-17(13-19)15-25(21-7-6-20(27)14-22(21)28-23(25)31)18-4-2-8-30(16-18)24(32)29-9-11-33-12-10-29/h1,3,5-7,13-14,18H,2,4,8-12,15-16H2,(H,28,31)
• InChIKey: OYTXWFXQVUCPQH-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.42
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one?

The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one (CID 11998151) is 6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one.

What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one?

The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one is O=C(N1CCOCC1)N1CCCC(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1.

What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one?

The InChIKey is OYTXWFXQVUCPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N3O3/c26-19-5-1-3-17(13-19)15-25(21-7-6-20(27)14-22(21)28-23(25)31)18-4-2-8-30(16-18)24(32)29-9-11-33-12-10-29/h1,3,5-7,13-14,18H,2,4,8-12,15-16H2,(H,28,31).

What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one?

6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one has a molecular weight of 488.42 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one is sourced from PubChem (CID 11998151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).