2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide

C24H24FN3O4 — CID 20763772

IUPAC2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide
SMILESCOc1cc2[nH]cc(C(=O)C(N)=O)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H24FN3O4/c1-32-21-12-20-17(19(13-27-20)22(29)23(26)30)11-18(21)24(31)28-8-6-15(7-9-28)10-14-2-4-16(25)5-3-14/h2-5,11-13,15,27H,6-10H2,1H3,(H2,26,30)
InChIKeySWIJUXYSKIMOSA-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.08
Rot. Bonds6

About 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide

2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide (PubChem CID 20763772) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide
PubChem CID20763772
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide
SMILESCOc1cc2[nH]cc(C(=O)C(N)=O)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H24FN3O4/c1-32-21-12-20-17(19(13-27-20)22(29)23(26)30)11-18(21)24(31)28-8-6-15(7-9-28)10-14-2-4-16(25)5-3-14/h2-5,11-13,15,27H,6-10H2,1H3,(H2,26,30)
InChIKeySWIJUXYSKIMOSA-UHFFFAOYSA-N
XLogP3.08
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide (CID 20763772) is 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide is COc1cc2[nH]cc(C(=O)C(N)=O)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide?
The InChIKey is SWIJUXYSKIMOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-32-21-12-20-17(19(13-27-20)22(29)23(26)30)11-18(21)24(31)28-8-6-15(7-9-28)10-14-2-4-16(25)5-3-14/h2-5,11-13,15,27H,6-10H2,1H3,(H2,26,30).
What are the key properties of 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide?
2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide has a molecular weight of 437.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 20763772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).