3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one

C18H21FN2O — CID 110721311

IUPAC3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCC(n2cccc2)CC1
InChIInChI=1S/C18H21FN2O/c19-17-6-2-1-5-15(17)7-8-18(22)21-13-9-16(10-14-21)20-11-3-4-12-20/h1-6,11-12,16H,7-10,13-14H2
InChIKeyTXJYARFDBPNCSY-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.42
Rot. Bonds4

About 3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one

3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 110721311) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
PubChem CID110721311
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCC(n2cccc2)CC1
InChIInChI=1S/C18H21FN2O/c19-17-6-2-1-5-15(17)7-8-18(22)21-13-9-16(10-14-21)20-11-3-4-12-20/h1-6,11-12,16H,7-10,13-14H2
InChIKeyTXJYARFDBPNCSY-UHFFFAOYSA-N
XLogP3.42
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
(2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94812898
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide
CID 110822698
1-(4-pyrrol-1-ylpiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 110721301
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110421664
1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110611425
3-(2-fluorophenyl)-1-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110611427
1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea
CID 110822705
3-(2-fluorophenyl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110603269

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one (CID 110721311) is 3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one is O=C(CCc1ccccc1F)N1CCC(n2cccc2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is TXJYARFDBPNCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c19-17-6-2-1-5-15(17)7-8-18(22)21-13-9-16(10-14-21)20-11-3-4-12-20/h1-6,11-12,16H,7-10,13-14H2.
What are the key properties of 3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one?
3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 300.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 110721311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).