1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one

C23H25FN2O2 — CID 58172370

IUPAC1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCN2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C23H25FN2O2/c24-20-8-6-17(7-9-20)23(28)18-10-14-25(15-11-18)12-3-13-26-21-5-2-1-4-19(21)16-22(26)27/h1-2,4-9,18H,3,10-16H2
InChIKeyOEZYKVPITJXFDE-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.70
Rot. Bonds6

About 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one

1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one (PubChem CID 58172370) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one
PubChem CID58172370
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCN2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C23H25FN2O2/c24-20-8-6-17(7-9-20)23(28)18-10-14-25(15-11-18)12-3-13-26-21-5-2-1-4-19(21)16-22(26)27/h1-2,4-9,18H,3,10-16H2
InChIKeyOEZYKVPITJXFDE-UHFFFAOYSA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one
CID 58172371
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-benzothiazol-2-one
CID 21424822
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
4-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)butan-1-one
CID 71749765
2-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 14392435
2-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 23037304
[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 54135393
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140
3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride
CID 19075037
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one?
The IUPAC name of 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one (CID 58172370) is 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one.
What is the SMILES notation for 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one?
The canonical SMILES for 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one is O=C(c1ccc(F)cc1)C1CCN(CCCN2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one?
The InChIKey is OEZYKVPITJXFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c24-20-8-6-17(7-9-20)23(28)18-10-14-25(15-11-18)12-3-13-26-21-5-2-1-4-19(21)16-22(26)27/h1-2,4-9,18H,3,10-16H2.
What are the key properties of 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one?
1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one has a molecular weight of 380.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one is sourced from PubChem (CID 58172370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).