1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

C22H27N3O2 — CID 4877830

IUPAC1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(N2CCN(C(C)C(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-17(22(26)25-12-11-18-5-3-4-6-21(18)25)23-13-15-24(16-14-23)19-7-9-20(27-2)10-8-19/h3-10,17H,11-16H2,1-2H3
InChIKeyUXFHNHSZCVRFML-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.80
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 4877830) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID4877830
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(N2CCN(C(C)C(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-17(22(26)25-12-11-18-5-3-4-6-21(18)25)23-13-15-24(16-14-23)19-7-9-20(27-2)10-8-19/h3-10,17H,11-16H2,1-2H3
InChIKeyUXFHNHSZCVRFML-UHFFFAOYSA-N
XLogP2.80
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 4877830) is 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccc(N2CCN(C(C)C(=O)N3CCc4ccccc43)CC2)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is UXFHNHSZCVRFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17(22(26)25-12-11-18-5-3-4-6-21(18)25)23-13-15-24(16-14-23)19-7-9-20(27-2)10-8-19/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 365.48 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 4877830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).