2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone

C21H21FN2O — CID 113087860

IUPAC2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H21FN2O/c22-18-7-3-1-5-16(18)14-21(25)24-11-9-15(10-12-24)20-13-17-6-2-4-8-19(17)23-20/h1-8,13,15,23H,9-12,14H2
InChIKeyRSBRGIFVFUATBR-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.26
Rot. Bonds3

About 2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone (PubChem CID 113087860) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
PubChem CID113087860
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H21FN2O/c22-18-7-3-1-5-16(18)14-21(25)24-11-9-15(10-12-24)20-13-17-6-2-4-8-19(17)23-20/h1-8,13,15,23H,9-12,14H2
InChIKeyRSBRGIFVFUATBR-UHFFFAOYSA-N
XLogP4.26
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088256
1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 71883526
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 56821439
2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087318
1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113088197
2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088564
(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 51097129
2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088041
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone (CID 113087860) is 2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone is O=C(Cc1ccccc1F)N1CCC(c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is RSBRGIFVFUATBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c22-18-7-3-1-5-16(18)14-21(25)24-11-9-15(10-12-24)20-13-17-6-2-4-8-19(17)23-20/h1-8,13,15,23H,9-12,14H2.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 336.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 113087860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).