ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide

C30H38FN3O4 — CID 142143043

About ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide

ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 142143043) has the molecular formula C30H38FN3O4 and a molecular weight of 523.65 g/mol. Its IUPAC name is ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

• Compound Name: ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide
• PubChem CID: 142143043
• Molecular Formula: C30H38FN3O4
• Molecular Weight: 523.65 g/mol
• Exact Mass: 523.28
• IUPAC Name: ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide
• SMILES: CC.COCn1c(C)c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c2cc(C(=O)C(=O)N(C)C)ccc21
• InChI: InChI=1S/C28H32FN3O4.C2H6/c1-18-25(27(34)31-13-11-20(12-14-31)15-19-5-8-22(29)9-6-19)23-16-21(26(33)28(35)30(2)3)7-10-24(23)32(18)17-36-4;1-2/h5-10,16,20H,11-15,17H2,1-4H3;1-2H3
• InChIKey: VETJVKYGJCGKNQ-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 71.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.65
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide?

The IUPAC name of ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide (CID 142143043) is ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide.

What is the SMILES notation for ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide?

The canonical SMILES for ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide is CC.COCn1c(C)c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c2cc(C(=O)C(=O)N(C)C)ccc21.

What is the InChIKey of ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide?

The InChIKey is VETJVKYGJCGKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O4.C2H6/c1-18-25(27(34)31-13-11-20(12-14-31)15-19-5-8-22(29)9-6-19)23-16-21(26(33)28(35)30(2)3)7-10-24(23)32(18)17-36-4;1-2/h5-10,16,20H,11-15,17H2,1-4H3;1-2H3.

What are the key properties of ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide?

ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 523.65 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-2-methylindol-5-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 142143043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).