(6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone

C16H19FN2O — CID 110849017

IUPAC(6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1[nH]c2cc(F)ccc2c1C(=O)N1CCC(C)CC1
InChIInChI=1S/C16H19FN2O/c1-10-5-7-19(8-6-10)16(20)15-11(2)18-14-9-12(17)3-4-13(14)15/h3-4,9-10,18H,5-8H2,1-2H3
InChIKeyAJEJFVWZIALPPZ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.49
Rot. Bonds1

About (6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone

(6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 110849017) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is (6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID110849017
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name(6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1[nH]c2cc(F)ccc2c1C(=O)N1CCC(C)CC1
InChIInChI=1S/C16H19FN2O/c1-10-5-7-19(8-6-10)16(20)15-11(2)18-14-9-12(17)3-4-13(14)15/h3-4,9-10,18H,5-8H2,1-2H3
InChIKeyAJEJFVWZIALPPZ-UHFFFAOYSA-N
XLogP3.49
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone (CID 110849017) is (6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone is Cc1[nH]c2cc(F)ccc2c1C(=O)N1CCC(C)CC1.
What is the InChIKey of (6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is AJEJFVWZIALPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-10-5-7-19(8-6-10)16(20)15-11(2)18-14-9-12(17)3-4-13(14)15/h3-4,9-10,18H,5-8H2,1-2H3.
What are the key properties of (6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone?
(6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 274.34 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110849017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).