(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone

C15H17FN2O — CID 113204518

IUPAC(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C15H17FN2O/c1-10-12-9-11(16)5-6-13(12)17-14(10)15(19)18-7-3-2-4-8-18/h5-6,9,17H,2-4,7-8H2,1H3
InChIKeyKNPUMCAZOHUVFE-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.24
Rot. Bonds1

About (5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone

(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone (PubChem CID 113204518) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is (5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
PubChem CID113204518
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C15H17FN2O/c1-10-12-9-11(16)5-6-13(12)17-14(10)15(19)18-7-3-2-4-8-18/h5-6,9,17H,2-4,7-8H2,1H3
InChIKeyKNPUMCAZOHUVFE-UHFFFAOYSA-N
XLogP3.24
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
[5-(azepan-1-ylsulfonyl)-3-methyl-1H-indol-2-yl]-piperidin-1-ylmethanone
CID 11574955
(5-fluoro-3-methyl-1H-indol-2-yl)-[4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 110123307
(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204953
[2-[1-(5-fluoro-3-methyl-1H-indole-2-carbonyl)piperidin-3-yl]-4-methylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 110084751
8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132764186
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 95829854
(8aS)-7-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126453991
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 124953771
1-(5-fluoro-3-methyl-1H-indol-2-yl)butan-1-one
CID 162435460
[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 70757953

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone (CID 113204518) is (5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone is Cc1c(C(=O)N2CCCCC2)[nH]c2ccc(F)cc12.
What is the InChIKey of (5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone?
The InChIKey is KNPUMCAZOHUVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-12-9-11(16)5-6-13(12)17-14(10)15(19)18-7-3-2-4-8-18/h5-6,9,17H,2-4,7-8H2,1H3.
What are the key properties of (5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone?
(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone has a molecular weight of 260.31 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 113204518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).