5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one

C25H27N3O — CID 3771400

IUPAC5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one
SMILESO=C1c2cc[nH]c2CCC1N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H27N3O/c29-25-21-13-14-26-22(21)11-12-23(25)27-15-17-28(18-16-27)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,13-14,23-24,26H,11-12,15-18H2
InChIKeyDSZFPFDPEPAIMR-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.92
Rot. Bonds4

About 5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one

5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one (PubChem CID 3771400) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one
PubChem CID3771400
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one
SMILESO=C1c2cc[nH]c2CCC1N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H27N3O/c29-25-21-13-14-26-22(21)11-12-23(25)27-15-17-28(18-16-27)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,13-14,23-24,26H,11-12,15-18H2
InChIKeyDSZFPFDPEPAIMR-UHFFFAOYSA-N
XLogP3.92
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one (CID 3771400) is 5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one is O=C1c2cc[nH]c2CCC1N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is DSZFPFDPEPAIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c29-25-21-13-14-26-22(21)11-12-23(25)27-15-17-28(18-16-27)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,13-14,23-24,26H,11-12,15-18H2.
What are the key properties of 5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one?
5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 385.51 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 3771400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).