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

C21H21FN2O — CID 113088033

IUPAC(3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C3CCN(C(=O)c4cccc(F)c4)CC3)cc2c1
InChIInChI=1S/C21H21FN2O/c1-14-5-6-19-17(11-14)13-20(23-19)15-7-9-24(10-8-15)21(25)16-3-2-4-18(22)12-16/h2-6,11-13,15,23H,7-10H2,1H3
InChIKeyZTIUOCSGIXFMSI-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.64
Rot. Bonds2

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

(3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone (PubChem CID 113088033) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
PubChem CID113088033
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name(3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C3CCN(C(=O)c4cccc(F)c4)CC3)cc2c1
InChIInChI=1S/C21H21FN2O/c1-14-5-6-19-17(11-14)13-20(23-19)15-7-9-24(10-8-15)21(25)16-3-2-4-18(22)12-16/h2-6,11-13,15,23H,7-10H2,1H3
InChIKeyZTIUOCSGIXFMSI-UHFFFAOYSA-N
XLogP4.64
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088227
[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088126
(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
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 84579149
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088680
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 139011392
N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide
CID 113088169
2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088041
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone (CID 113088033) is (3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone is Cc1ccc2[nH]c(C3CCN(C(=O)c4cccc(F)c4)CC3)cc2c1.
What is the InChIKey of (3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ZTIUOCSGIXFMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-14-5-6-19-17(11-14)13-20(23-19)15-7-9-24(10-8-15)21(25)16-3-2-4-18(22)12-16/h2-6,11-13,15,23H,7-10H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
(3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone has a molecular weight of 336.41 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 113088033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).