1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione

C28H30FN3O5 — CID 10217889

IUPAC1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCOc1cc2[nH]cc(C(=O)C(=O)N3CCOCC3)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C28H30FN3O5/c1-36-25-16-24-21(23(17-30-24)26(33)28(35)32-10-12-37-13-11-32)15-22(25)27(34)31-8-6-19(7-9-31)14-18-2-4-20(29)5-3-18/h2-5,15-17,19,30H,6-14H2,1H3
InChIKeyOMTRNUXRFVOHLP-UHFFFAOYSA-N
MW507.56 g/mol
LogP3.45
Rot. Bonds6

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

1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 10217889) has the molecular formula C28H30FN3O5 and a molecular weight of 507.56 g/mol. Its IUPAC name is 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID10217889
Molecular FormulaC28H30FN3O5
Molecular Weight507.56 g/mol
Exact Mass507.22
IUPAC Name1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCOc1cc2[nH]cc(C(=O)C(=O)N3CCOCC3)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C28H30FN3O5/c1-36-25-16-24-21(23(17-30-24)26(33)28(35)32-10-12-37-13-11-32)15-22(25)27(34)31-8-6-19(7-9-31)14-18-2-4-20(29)5-3-18/h2-5,15-17,19,30H,6-14H2,1H3
InChIKeyOMTRNUXRFVOHLP-UHFFFAOYSA-N
XLogP3.45
TPSA91.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione (CID 10217889) is 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione is COc1cc2[nH]cc(C(=O)C(=O)N3CCOCC3)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is OMTRNUXRFVOHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O5/c1-36-25-16-24-21(23(17-30-24)26(33)28(35)32-10-12-37-13-11-32)15-22(25)27(34)31-8-6-19(7-9-31)14-18-2-4-20(29)5-3-18/h2-5,15-17,19,30H,6-14H2,1H3.
What are the key properties of 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 507.56 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 10217889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).