3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one

C15H17FN2O — CID 84638147

IUPAC3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one
SMILESCc1[nH]c2c(F)cccc2c1CC1CNCCC1=O
InChIInChI=1S/C15H17FN2O/c1-9-12(7-10-8-17-6-5-14(10)19)11-3-2-4-13(16)15(11)18-9/h2-4,10,17-18H,5-8H2,1H3
InChIKeyMNZBBJWVILVQHI-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.34
Rot. Bonds2

About 3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one

3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one (PubChem CID 84638147) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one
PubChem CID84638147
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one
SMILESCc1[nH]c2c(F)cccc2c1CC1CNCCC1=O
InChIInChI=1S/C15H17FN2O/c1-9-12(7-10-8-17-6-5-14(10)19)11-3-2-4-13(16)15(11)18-9/h2-4,10,17-18H,5-8H2,1H3
InChIKeyMNZBBJWVILVQHI-UHFFFAOYSA-N
XLogP2.34
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one?
The IUPAC name of 3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one (CID 84638147) is 3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one.
What is the SMILES notation for 3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one?
The canonical SMILES for 3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one is Cc1[nH]c2c(F)cccc2c1CC1CNCCC1=O.
What is the InChIKey of 3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one?
The InChIKey is MNZBBJWVILVQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-9-12(7-10-8-17-6-5-14(10)19)11-3-2-4-13(16)15(11)18-9/h2-4,10,17-18H,5-8H2,1H3.
What are the key properties of 3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one?
3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one has a molecular weight of 260.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one is sourced from PubChem (CID 84638147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).