1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone

C23H25FN2O — CID 84579139

IUPAC1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCc1ccc2[nH]c(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)c(C)c2c1
InChIInChI=1S/C23H25FN2O/c1-15-3-8-21-20(13-15)16(2)23(25-21)18-9-11-26(12-10-18)22(27)14-17-4-6-19(24)7-5-17/h3-8,13,18,25H,9-12,14H2,1-2H3
InChIKeyKXYMWFDDKDCFHP-UHFFFAOYSA-N
MW364.46 g/mol
LogP4.87
Rot. Bonds3

About 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 84579139) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID84579139
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC Name1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCc1ccc2[nH]c(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)c(C)c2c1
InChIInChI=1S/C23H25FN2O/c1-15-3-8-21-20(13-15)16(2)23(25-21)18-9-11-26(12-10-18)22(27)14-17-4-6-19(24)7-5-17/h3-8,13,18,25H,9-12,14H2,1-2H3
InChIKeyKXYMWFDDKDCFHP-UHFFFAOYSA-N
XLogP4.87
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 84581686
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 113087417
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087416
[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580370
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087543
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
2-(3,4-dimethoxyphenyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087404
4-[(4-fluorophenyl)methyl]-3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 91890574
2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 110725389
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
2-(3,4-dimethoxyphenyl)-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087627

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 84579139) is 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone is Cc1ccc2[nH]c(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)c(C)c2c1.
What is the InChIKey of 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is KXYMWFDDKDCFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-15-3-8-21-20(13-15)16(2)23(25-21)18-9-11-26(12-10-18)22(27)14-17-4-6-19(24)7-5-17/h3-8,13,18,25H,9-12,14H2,1-2H3.
What are the key properties of 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 364.46 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 84579139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).