2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone

C22H30FN3O2 — CID 155540398

IUPAC2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone
SMILESCc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C22H30FN3O2/c1-17-19(7-10-24-11-13-28-14-12-24)20-15-18(23)5-6-21(20)26(17)16-22(27)25-8-3-2-4-9-25/h5-6,15H,2-4,7-14,16H2,1H3
InChIKeyDFUPSBLQCJHIPU-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.98
Rot. Bonds5

About 2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone

2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 155540398) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone
PubChem CID155540398
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone
SMILESCc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C22H30FN3O2/c1-17-19(7-10-24-11-13-28-14-12-24)20-15-18(23)5-6-21(20)26(17)16-22(27)25-8-3-2-4-9-25/h5-6,15H,2-4,7-14,16H2,1H3
InChIKeyDFUPSBLQCJHIPU-UHFFFAOYSA-N
XLogP2.98
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone (CID 155540398) is 2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone is Cc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)N1CCCCC1.
What is the InChIKey of 2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is DFUPSBLQCJHIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-17-19(7-10-24-11-13-28-14-12-24)20-15-18(23)5-6-21(20)26(17)16-22(27)25-8-3-2-4-9-25/h5-6,15H,2-4,7-14,16H2,1H3.
What are the key properties of 2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone?
2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 387.50 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 155540398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).