3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide

C27H34FN3O — CID 92721949

IUPAC3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C27H34FN3O/c1-21-9-6-7-17-30(21)18-8-16-29-27(32)15-14-22-19-31(26-13-5-3-11-24(22)26)20-23-10-2-4-12-25(23)28/h2-5,10-13,19,21H,6-9,14-18,20H2,1H3,(H,29,32)/t21-/m1/s1
InChIKeyCJALUMQFKCWFJQ-OAQYLSRUSA-N
MW435.59 g/mol
LogP5.14
Rot. Bonds9

About 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide

3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide (PubChem CID 92721949) has the molecular formula C27H34FN3O and a molecular weight of 435.59 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
PubChem CID92721949
Molecular FormulaC27H34FN3O
Molecular Weight435.59 g/mol
Exact Mass435.27
IUPAC Name3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C27H34FN3O/c1-21-9-6-7-17-30(21)18-8-16-29-27(32)15-14-22-19-31(26-13-5-3-11-24(22)26)20-23-10-2-4-12-25(23)28/h2-5,10-13,19,21H,6-9,14-18,20H2,1H3,(H,29,32)/t21-/m1/s1
InChIKeyCJALUMQFKCWFJQ-OAQYLSRUSA-N
XLogP5.14
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide (CID 92721949) is 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide is C[C@@H]1CCCCN1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide?
The InChIKey is CJALUMQFKCWFJQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H34FN3O/c1-21-9-6-7-17-30(21)18-8-16-29-27(32)15-14-22-19-31(26-13-5-3-11-24(22)26)20-23-10-2-4-12-25(23)28/h2-5,10-13,19,21H,6-9,14-18,20H2,1H3,(H,29,32)/t21-/m1/s1.
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide?
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide has a molecular weight of 435.59 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide is sourced from PubChem (CID 92721949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).