[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate

C24H23FN2O3 — CID 86939213

IUPAC[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate
SMILESO=C(Cc1ccc(-n2cccc2)cc1)OC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H23FN2O3/c25-22-6-2-1-5-21(22)24(29)27-15-11-20(12-16-27)30-23(28)17-18-7-9-19(10-8-18)26-13-3-4-14-26/h1-10,13-14,20H,11-12,15-17H2
InChIKeyWIPNWSGCEAUNKQ-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.01
Rot. Bonds5

About [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate

[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate (PubChem CID 86939213) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate.

Molecular Properties

Compound Name[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate
PubChem CID86939213
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate
SMILESO=C(Cc1ccc(-n2cccc2)cc1)OC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H23FN2O3/c25-22-6-2-1-5-21(22)24(29)27-15-11-20(12-16-27)30-23(28)17-18-7-9-19(10-8-18)26-13-3-4-14-26/h1-10,13-14,20H,11-12,15-17H2
InChIKeyWIPNWSGCEAUNKQ-UHFFFAOYSA-N
XLogP4.01
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554779
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108561657
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844111
cyclopropyl 2-phenylacetate
CID 135066962
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 80667822
2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
CID 59326759
2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
CID 108551296
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
(2-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4744214
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride
CID 21275355

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate?
The IUPAC name of [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate (CID 86939213) is [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate.
What is the SMILES notation for [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate?
The canonical SMILES for [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate is O=C(Cc1ccc(-n2cccc2)cc1)OC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate?
The InChIKey is WIPNWSGCEAUNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c25-22-6-2-1-5-21(22)24(29)27-15-11-20(12-16-27)30-23(28)17-18-7-9-19(10-8-18)26-13-3-4-14-26/h1-10,13-14,20H,11-12,15-17H2.
What are the key properties of [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate?
[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate has a molecular weight of 406.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate is sourced from PubChem (CID 86939213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).