1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one

C22H22FN3O — CID 175896358

IUPAC1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one
SMILESCc1ccc(F)c2ccn(-c3cccc(N4CCN(C5CC5)C(=O)C4)c3)c12
InChIInChI=1S/C22H22FN3O/c1-15-5-8-20(23)19-9-10-26(22(15)19)18-4-2-3-17(13-18)24-11-12-25(16-6-7-16)21(27)14-24/h2-5,8-10,13,16H,6-7,11-12,14H2,1H3
InChIKeyGKTNATPZXYZCBO-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.89
Rot. Bonds3

About 1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one

1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one (PubChem CID 175896358) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one
PubChem CID175896358
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one
SMILESCc1ccc(F)c2ccn(-c3cccc(N4CCN(C5CC5)C(=O)C4)c3)c12
InChIInChI=1S/C22H22FN3O/c1-15-5-8-20(23)19-9-10-26(22(15)19)18-4-2-3-17(13-18)24-11-12-25(16-6-7-16)21(27)14-24/h2-5,8-10,13,16H,6-7,11-12,14H2,1H3
InChIKeyGKTNATPZXYZCBO-UHFFFAOYSA-N
XLogP3.89
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one?
The IUPAC name of 1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one (CID 175896358) is 1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one is Cc1ccc(F)c2ccn(-c3cccc(N4CCN(C5CC5)C(=O)C4)c3)c12.
What is the InChIKey of 1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one?
The InChIKey is GKTNATPZXYZCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-15-5-8-20(23)19-9-10-26(22(15)19)18-4-2-3-17(13-18)24-11-12-25(16-6-7-16)21(27)14-24/h2-5,8-10,13,16H,6-7,11-12,14H2,1H3.
What are the key properties of 1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one?
1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one has a molecular weight of 363.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one is sourced from PubChem (CID 175896358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).