1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide

C27H32Cl2N4O3 — CID 57479032

About 1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide

1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide (PubChem CID 57479032) has the molecular formula C27H32Cl2N4O3 and a molecular weight of 531.48 g/mol. Its IUPAC name is 1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide
• PubChem CID: 57479032
• Molecular Formula: C27H32Cl2N4O3
• Molecular Weight: 531.48 g/mol
• Exact Mass: 530.19
• IUPAC Name: 1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide
• SMILES: CC(CCC(=O)N1CCC(C(N)=O)CC1)CNC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
• InChI: InChI=1S/C27H32Cl2N4O3/c1-17(5-8-24(34)33-11-9-19(10-12-33)25(30)35)16-31-27(15-18-3-2-4-20(28)13-18)22-7-6-21(29)14-23(22)32-26(27)36/h2-4,6-7,13-14,17,19,31H,5,8-12,15-16H2,1H3,(H2,30,35)(H,32,36)
• InChIKey: BDFUGHITZLGUTG-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 104.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.48
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide?

The IUPAC name of 1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide (CID 57479032) is 1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide is CC(CCC(=O)N1CCC(C(N)=O)CC1)CNC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21.

What is the InChIKey of 1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide?

The InChIKey is BDFUGHITZLGUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2N4O3/c1-17(5-8-24(34)33-11-9-19(10-12-33)25(30)35)16-31-27(15-18-3-2-4-20(28)13-18)22-7-6-21(29)14-23(22)32-26(27)36/h2-4,6-7,13-14,17,19,31H,5,8-12,15-16H2,1H3,(H2,30,35)(H,32,36).

What are the key properties of 1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide?

1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide has a molecular weight of 531.48 g/mol, XLogP of 4.11, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 57479032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).