3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one

C24H26N2O3 — CID 136530546

IUPAC3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1C1CCN(C(=O)c2ccc3c(c2O)CCCC3)CC1
InChIInChI=1S/C24H26N2O3/c27-22-17-6-2-1-5-15(17)9-10-19(22)24(29)26-13-11-16(12-14-26)21-18-7-3-4-8-20(18)25-23(21)28/h3-4,7-10,16,21,27H,1-2,5-6,11-14H2,(H,25,28)
InChIKeyRTRXFMKDOPYHOD-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.86
Rot. Bonds2

About 3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one

3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one (PubChem CID 136530546) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
PubChem CID136530546
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1C1CCN(C(=O)c2ccc3c(c2O)CCCC3)CC1
InChIInChI=1S/C24H26N2O3/c27-22-17-6-2-1-5-15(17)9-10-19(22)24(29)26-13-11-16(12-14-26)21-18-7-3-4-8-20(18)25-23(21)28/h3-4,7-10,16,21,27H,1-2,5-6,11-14H2,(H,25,28)
InChIKeyRTRXFMKDOPYHOD-UHFFFAOYSA-N
XLogP3.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one (CID 136530546) is 3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1C1CCN(C(=O)c2ccc3c(c2O)CCCC3)CC1.
What is the InChIKey of 3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is RTRXFMKDOPYHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-22-17-6-2-1-5-15(17)9-10-19(22)24(29)26-13-11-16(12-14-26)21-18-7-3-4-8-20(18)25-23(21)28/h3-4,7-10,16,21,27H,1-2,5-6,11-14H2,(H,25,28).
What are the key properties of 3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 390.48 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 136530546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).