2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone

C18H21FN2O — CID 53147965

IUPAC2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN2O/c1-14-8-11-20(12-9-14)18(22)13-17-3-2-10-21(17)16-6-4-15(19)5-7-16/h2-7,10,14H,8-9,11-13H2,1H3
InChIKeyFXQNAHFPBNRJHE-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.42
Rot. Bonds3

About 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 53147965) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID53147965
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN2O/c1-14-8-11-20(12-9-14)18(22)13-17-3-2-10-21(17)16-6-4-15(19)5-7-16/h2-7,10,14H,8-9,11-13H2,1H3
InChIKeyFXQNAHFPBNRJHE-UHFFFAOYSA-N
XLogP3.42
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113162333
2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 118398596
1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone
CID 110487580
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
N-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide
CID 53147955
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769091
3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014322
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 3551944
N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 3154525
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 53147965) is 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is FXQNAHFPBNRJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-14-8-11-20(12-9-14)18(22)13-17-3-2-10-21(17)16-6-4-15(19)5-7-16/h2-7,10,14H,8-9,11-13H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 300.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 53147965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).