2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one

C22H19N3O3 — CID 168852584

IUPAC2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one
SMILESO=C1C(c2c(O)n(C(=O)N3CCCCC3)c3ccccc23)=Nc2ccccc21
InChIInChI=1S/C22H19N3O3/c26-20-14-8-2-4-10-16(14)23-19(20)18-15-9-3-5-11-17(15)25(21(18)27)22(28)24-12-6-1-7-13-24/h2-5,8-11,27H,1,6-7,12-13H2
InChIKeyYEXHWGCRNMVOTF-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.12
Rot. Bonds1

About 2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one

2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one (PubChem CID 168852584) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one
PubChem CID168852584
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one
SMILESO=C1C(c2c(O)n(C(=O)N3CCCCC3)c3ccccc23)=Nc2ccccc21
InChIInChI=1S/C22H19N3O3/c26-20-14-8-2-4-10-16(14)23-19(20)18-15-9-3-5-11-17(15)25(21(18)27)22(28)24-12-6-1-7-13-24/h2-5,8-11,27H,1,6-7,12-13H2
InChIKeyYEXHWGCRNMVOTF-UHFFFAOYSA-N
XLogP4.12
TPSA74.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one?
The IUPAC name of 2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one (CID 168852584) is 2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one.
What is the SMILES notation for 2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one?
The canonical SMILES for 2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one is O=C1C(c2c(O)n(C(=O)N3CCCCC3)c3ccccc23)=Nc2ccccc21.
What is the InChIKey of 2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one?
The InChIKey is YEXHWGCRNMVOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-20-14-8-2-4-10-16(14)23-19(20)18-15-9-3-5-11-17(15)25(21(18)27)22(28)24-12-6-1-7-13-24/h2-5,8-11,27H,1,6-7,12-13H2.
What are the key properties of 2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one?
2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one has a molecular weight of 373.41 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one is sourced from PubChem (CID 168852584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).