6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one

C20H23FN4O — CID 141385793

IUPAC6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one
SMILESO=c1cccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)[nH]1
InChIInChI=1S/C20H23FN4O/c21-16-6-7-18-17(13-16)15(14-22-18)3-2-8-24-9-11-25(12-10-24)19-4-1-5-20(26)23-19/h1,4-7,13-14,22H,2-3,8-12H2,(H,23,26)
InChIKeyOLASPXPYAUSDDV-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.75
Rot. Bonds5

About 6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one

6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 141385793) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one
PubChem CID141385793
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one
SMILESO=c1cccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)[nH]1
InChIInChI=1S/C20H23FN4O/c21-16-6-7-18-17(13-16)15(14-22-18)3-2-8-24-9-11-25(12-10-24)19-4-1-5-20(26)23-19/h1,4-7,13-14,22H,2-3,8-12H2,(H,23,26)
InChIKeyOLASPXPYAUSDDV-UHFFFAOYSA-N
XLogP2.75
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 90469554
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 177378521
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
CID 162675335
5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 141399451
5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one
CID 118190844
[1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine
CID 71151627
5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride
CID 22372071
3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
CID 7038412
5-fluoro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole;hydrochloride
CID 10475148
3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide
CID 175406463

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one (CID 141385793) is 6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one is O=c1cccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)[nH]1.
What is the InChIKey of 6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is OLASPXPYAUSDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-16-6-7-18-17(13-16)15(14-22-18)3-2-8-24-9-11-25(12-10-24)19-4-1-5-20(26)23-19/h1,4-7,13-14,22H,2-3,8-12H2,(H,23,26).
What are the key properties of 6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one?
6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 354.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 141385793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).