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

C24H24FN3O2 — CID 164822235

IUPAC1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C2CCN(C(C)=O)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C24H24FN3O2/c1-15(29)21-22(17-7-11-26-12-8-17)24(18-3-5-20(25)6-4-18)27-23(21)19-9-13-28(14-10-19)16(2)30/h3-8,11-12,19,27H,9-10,13-14H2,1-2H3
InChIKeyCKBDMHLXFXWESV-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.81
Rot. Bonds4

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

1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone (PubChem CID 164822235) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone
PubChem CID164822235
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C2CCN(C(C)=O)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C24H24FN3O2/c1-15(29)21-22(17-7-11-26-12-8-17)24(18-3-5-20(25)6-4-18)27-23(21)19-9-13-28(14-10-19)16(2)30/h3-8,11-12,19,27H,9-10,13-14H2,1-2H3
InChIKeyCKBDMHLXFXWESV-UHFFFAOYSA-N
XLogP4.81
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone
CID 155235302
5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carbaldehyde
CID 155235167
[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol
CID 155235132
bis([5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol);methane
CID 165028965
1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 91065681
[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol
CID 155235169
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 68780763
4-[2-(4-fluorophenyl)-4-(methylsulfonylmethyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine
CID 155235204
(4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 91213482
2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol
CID 44565093
[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone
CID 22958985
1-[4-[4-(4-fluorophenyl)-5-methanimidoyl-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone
CID 89175768

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone (CID 164822235) is 1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C2CCN(C(C)=O)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone?
The InChIKey is CKBDMHLXFXWESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-15(29)21-22(17-7-11-26-12-8-17)24(18-3-5-20(25)6-4-18)27-23(21)19-9-13-28(14-10-19)16(2)30/h3-8,11-12,19,27H,9-10,13-14H2,1-2H3.
What are the key properties of 1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone?
1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone has a molecular weight of 405.47 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 164822235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).