3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one

C21H23F2N3O — CID 70031659

IUPAC3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one
SMILESO=C(CCN1CCN(c2ccc(F)cc2F)CC1)C1CNc2ccccc21
InChIInChI=1S/C21H23F2N3O/c22-15-5-6-20(18(23)13-15)26-11-9-25(10-12-26)8-7-21(27)17-14-24-19-4-2-1-3-16(17)19/h1-6,13,17,24H,7-12,14H2
InChIKeyKGSRQDAJIUWPQR-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.26
Rot. Bonds5

About 3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one

3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one (PubChem CID 70031659) has the molecular formula C21H23F2N3O and a molecular weight of 371.43 g/mol. Its IUPAC name is 3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one
PubChem CID70031659
Molecular FormulaC21H23F2N3O
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC Name3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one
SMILESO=C(CCN1CCN(c2ccc(F)cc2F)CC1)C1CNc2ccccc21
InChIInChI=1S/C21H23F2N3O/c22-15-5-6-20(18(23)13-15)26-11-9-25(10-12-26)8-7-21(27)17-14-24-19-4-2-1-3-16(17)19/h1-6,13,17,24H,7-12,14H2
InChIKeyKGSRQDAJIUWPQR-UHFFFAOYSA-N
XLogP3.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one?
The IUPAC name of 3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one (CID 70031659) is 3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one is O=C(CCN1CCN(c2ccc(F)cc2F)CC1)C1CNc2ccccc21.
What is the InChIKey of 3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one?
The InChIKey is KGSRQDAJIUWPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O/c22-15-5-6-20(18(23)13-15)26-11-9-25(10-12-26)8-7-21(27)17-14-24-19-4-2-1-3-16(17)19/h1-6,13,17,24H,7-12,14H2.
What are the key properties of 3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one?
3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one has a molecular weight of 371.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 70031659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).