3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one

C16H23N3O2 — CID 106836266

IUPAC3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one
SMILESCC(O)C1CCN(c2ccc3c(c2)N(C)C(=O)C3N)CC1
InChIInChI=1S/C16H23N3O2/c1-10(20)11-5-7-19(8-6-11)12-3-4-13-14(9-12)18(2)16(21)15(13)17/h3-4,9-11,15,20H,5-8,17H2,1-2H3
InChIKeyVGTWHUHPEGSNJO-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.26
Rot. Bonds2

About 3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one

3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one (PubChem CID 106836266) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one
PubChem CID106836266
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one
SMILESCC(O)C1CCN(c2ccc3c(c2)N(C)C(=O)C3N)CC1
InChIInChI=1S/C16H23N3O2/c1-10(20)11-5-7-19(8-6-11)12-3-4-13-14(9-12)18(2)16(21)15(13)17/h3-4,9-11,15,20H,5-8,17H2,1-2H3
InChIKeyVGTWHUHPEGSNJO-UHFFFAOYSA-N
XLogP1.26
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one?
The IUPAC name of 3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one (CID 106836266) is 3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one is CC(O)C1CCN(c2ccc3c(c2)N(C)C(=O)C3N)CC1.
What is the InChIKey of 3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one?
The InChIKey is VGTWHUHPEGSNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(20)11-5-7-19(8-6-11)12-3-4-13-14(9-12)18(2)16(21)15(13)17/h3-4,9-11,15,20H,5-8,17H2,1-2H3.
What are the key properties of 3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one?
3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 106836266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).