(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone

C21H20F2N2O — CID 113088680

IUPAC(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C3CCCN(C(=O)c4ccc(F)c(F)c4)C3)cc2c1
InChIInChI=1S/C21H20F2N2O/c1-13-4-7-19-16(9-13)11-20(24-19)15-3-2-8-25(12-15)21(26)14-5-6-17(22)18(23)10-14/h4-7,9-11,15,24H,2-3,8,12H2,1H3
InChIKeyGKORELOSOQKJKN-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.77
Rot. Bonds2

About (3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone

(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone (PubChem CID 113088680) has the molecular formula C21H20F2N2O and a molecular weight of 354.40 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
PubChem CID113088680
Molecular FormulaC21H20F2N2O
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C3CCCN(C(=O)c4ccc(F)c(F)c4)C3)cc2c1
InChIInChI=1S/C21H20F2N2O/c1-13-4-7-19-16(9-13)11-20(24-19)15-3-2-8-25(12-15)21(26)14-5-6-17(22)18(23)10-14/h4-7,9-11,15,24H,2-3,8,12H2,1H3
InChIKeyGKORELOSOQKJKN-UHFFFAOYSA-N
XLogP4.77
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088826
(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088558
(3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088033
1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one
CID 113088645
5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
CID 113088695
(3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088040
1,3-benzodioxol-5-yl-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088055
1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113088842
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 113088821
[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088126
(3,4-difluorophenyl)-[3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68526656

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone (CID 113088680) is (3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone is Cc1ccc2[nH]c(C3CCCN(C(=O)c4ccc(F)c(F)c4)C3)cc2c1.
What is the InChIKey of (3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
The InChIKey is GKORELOSOQKJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O/c1-13-4-7-19-16(9-13)11-20(24-19)15-3-2-8-25(12-15)21(26)14-5-6-17(22)18(23)10-14/h4-7,9-11,15,24H,2-3,8,12H2,1H3.
What are the key properties of (3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone has a molecular weight of 354.40 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 113088680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).