2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide

C26H29ClFN3O3 — CID 71179713

About 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 71179713) has the molecular formula C26H29ClFN3O3 and a molecular weight of 485.99 g/mol. Its IUPAC name is 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide
• PubChem CID: 71179713
• Molecular Formula: C26H29ClFN3O3
• Molecular Weight: 485.99 g/mol
• Exact Mass: 485.19
• IUPAC Name: 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide
• SMILES: CN(C)C(=O)C(=O)C1CN(C)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc21
• InChI: InChI=1S/C26H29ClFN3O3/c1-29(2)26(34)24(32)21-15-30(3)23-14-22(27)20(13-19(21)23)25(33)31-10-8-17(9-11-31)12-16-4-6-18(28)7-5-16/h4-7,13-14,17,21H,8-12,15H2,1-3H3
• InChIKey: WKESWQFOXOMXOM-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 60.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.99
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

The IUPAC name of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 71179713) is 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide.

What is the SMILES notation for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

The canonical SMILES for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide is CN(C)C(=O)C(=O)C1CN(C)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc21.

What is the InChIKey of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

The InChIKey is WKESWQFOXOMXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClFN3O3/c1-29(2)26(34)24(32)21-15-30(3)23-14-22(27)20(13-19(21)23)25(33)31-10-8-17(9-11-31)12-16-4-6-18(28)7-5-16/h4-7,13-14,17,21H,8-12,15H2,1-3H3.

What are the key properties of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 485.99 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 71179713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).