2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one

C22H27N3O — CID 4839240

IUPAC2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c1-18(22(26)25-12-11-20-9-5-6-10-21(20)25)24-15-13-23(14-16-24)17-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3
InChIKeyWFDNHEHAFWAXAG-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.78
Rot. Bonds4

About 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one

2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 4839240) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID4839240
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c1-18(22(26)25-12-11-20-9-5-6-10-21(20)25)24-15-13-23(14-16-24)17-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3
InChIKeyWFDNHEHAFWAXAG-UHFFFAOYSA-N
XLogP2.78
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 4839240) is 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(C(=O)N1CCc2ccccc21)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is WFDNHEHAFWAXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-18(22(26)25-12-11-20-9-5-6-10-21(20)25)24-15-13-23(14-16-24)17-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 349.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 4839240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).