1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one

C20H25N3O2 — CID 141032992

IUPAC1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2-c1cnccc1OCCN1CCCCC1
InChIInChI=1S/C20H25N3O2/c24-19-6-4-5-17-16(19)8-12-23(17)18-15-21-9-7-20(18)25-14-13-22-10-2-1-3-11-22/h7-9,12,15H,1-6,10-11,13-14H2
InChIKeySNYPHWHEXRKXAA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.26
Rot. Bonds5

About 1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one

1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 141032992) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one
PubChem CID141032992
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2-c1cnccc1OCCN1CCCCC1
InChIInChI=1S/C20H25N3O2/c24-19-6-4-5-17-16(19)8-12-23(17)18-15-21-9-7-20(18)25-14-13-22-10-2-1-3-11-22/h7-9,12,15H,1-6,10-11,13-14H2
InChIKeySNYPHWHEXRKXAA-UHFFFAOYSA-N
XLogP3.26
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one (CID 141032992) is 1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2-c1cnccc1OCCN1CCCCC1.
What is the InChIKey of 1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is SNYPHWHEXRKXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19-6-4-5-17-16(19)8-12-23(17)18-15-21-9-7-20(18)25-14-13-22-10-2-1-3-11-22/h7-9,12,15H,1-6,10-11,13-14H2.
What are the key properties of 1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one?
1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 339.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-piperidin-1-ylethoxy)-3-pyridinyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 141032992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).