1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone

C22H22FN3O — CID 155235302

IUPAC1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C2CCNCC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C22H22FN3O/c1-14(27)19-20(15-6-10-24-11-7-15)22(16-2-4-18(23)5-3-16)26-21(19)17-8-12-25-13-9-17/h2-7,10-11,17,25-26H,8-9,12-13H2,1H3
InChIKeyINWZLPXTMTXMRH-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.55
Rot. Bonds4

About 1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone

1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone (PubChem CID 155235302) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone
PubChem CID155235302
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C2CCNCC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C22H22FN3O/c1-14(27)19-20(15-6-10-24-11-7-15)22(16-2-4-18(23)5-3-16)26-21(19)17-8-12-25-13-9-17/h2-7,10-11,17,25-26H,8-9,12-13H2,1H3
InChIKeyINWZLPXTMTXMRH-UHFFFAOYSA-N
XLogP4.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone (CID 155235302) is 1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C2CCNCC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone?
The InChIKey is INWZLPXTMTXMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-14(27)19-20(15-6-10-24-11-7-15)22(16-2-4-18(23)5-3-16)26-21(19)17-8-12-25-13-9-17/h2-7,10-11,17,25-26H,8-9,12-13H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone?
1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone has a molecular weight of 363.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 155235302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).