2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide

C27H33N3O3 — CID 75593274

IUPAC2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
SMILESCNC(=O)CC1(O)C(=O)N(C2CCN(C3(C)CCCc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C27H33N3O3/c1-26(15-7-9-19-8-3-4-10-21(19)26)29-16-13-20(14-17-29)30-23-12-6-5-11-22(23)27(33,25(30)32)18-24(31)28-2/h3-6,8,10-12,20,33H,7,9,13-18H2,1-2H3,(H,28,31)
InChIKeyIOWGHQHDFQTGAE-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.07
Rot. Bonds4

About 2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide

2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide (PubChem CID 75593274) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
PubChem CID75593274
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
SMILESCNC(=O)CC1(O)C(=O)N(C2CCN(C3(C)CCCc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C27H33N3O3/c1-26(15-7-9-19-8-3-4-10-21(19)26)29-16-13-20(14-17-29)30-23-12-6-5-11-22(23)27(33,25(30)32)18-24(31)28-2/h3-6,8,10-12,20,33H,7,9,13-18H2,1-2H3,(H,28,31)
InChIKeyIOWGHQHDFQTGAE-UHFFFAOYSA-N
XLogP3.07
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide (CID 75593274) is 2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide is CNC(=O)CC1(O)C(=O)N(C2CCN(C3(C)CCCc4ccccc43)CC2)c2ccccc21.
What is the InChIKey of 2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide?
The InChIKey is IOWGHQHDFQTGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-26(15-7-9-19-8-3-4-10-21(19)26)29-16-13-20(14-17-29)30-23-12-6-5-11-22(23)27(33,25(30)32)18-24(31)28-2/h3-6,8,10-12,20,33H,7,9,13-18H2,1-2H3,(H,28,31).
What are the key properties of 2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide?
2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide has a molecular weight of 447.58 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide is sourced from PubChem (CID 75593274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).