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

C28H30FN3O5 — CID 10289205

IUPAC2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C(C)=O
InChIInChI=1S/C28H30FN3O5/c1-17(33)32-16-23(26(34)28(36)30(2)3)21-14-22(25(37-4)15-24(21)32)27(35)31-11-9-19(10-12-31)13-18-5-7-20(29)8-6-18/h5-8,14-16,19H,9-13H2,1-4H3
InChIKeyFMJRAHFHWUUFMK-UHFFFAOYSA-N
MW507.56 g/mol
LogP3.81
Rot. Bonds6

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

2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 10289205) has the molecular formula C28H30FN3O5 and a molecular weight of 507.56 g/mol. Its IUPAC name is 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID10289205
Molecular FormulaC28H30FN3O5
Molecular Weight507.56 g/mol
Exact Mass507.22
IUPAC Name2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C(C)=O
InChIInChI=1S/C28H30FN3O5/c1-17(33)32-16-23(26(34)28(36)30(2)3)21-14-22(25(37-4)15-24(21)32)27(35)31-11-9-19(10-12-31)13-18-5-7-20(29)8-6-18/h5-8,14-16,19H,9-13H2,1-4H3
InChIKeyFMJRAHFHWUUFMK-UHFFFAOYSA-N
XLogP3.81
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.56
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 10289205) is 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide is COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C(C)=O.
What is the InChIKey of 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is FMJRAHFHWUUFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O5/c1-17(33)32-16-23(26(34)28(36)30(2)3)21-14-22(25(37-4)15-24(21)32)27(35)31-11-9-19(10-12-31)13-18-5-7-20(29)8-6-18/h5-8,14-16,19H,9-13H2,1-4H3.
What are the key properties of 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 507.56 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 10289205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).