5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one

C15H21N3O2 — CID 63973072

IUPAC5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
SMILESCOCC1CCN(c2cc3c(cc2N)CC(=O)N3)CC1
InChIInChI=1S/C15H21N3O2/c1-20-9-10-2-4-18(5-3-10)14-8-13-11(6-12(14)16)7-15(19)17-13/h6,8,10H,2-5,7,9,16H2,1H3,(H,17,19)
InChIKeyUQIPXDWJVWCQGB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.63
Rot. Bonds3

About 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one

5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one (PubChem CID 63973072) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
PubChem CID63973072
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
SMILESCOCC1CCN(c2cc3c(cc2N)CC(=O)N3)CC1
InChIInChI=1S/C15H21N3O2/c1-20-9-10-2-4-18(5-3-10)14-8-13-11(6-12(14)16)7-15(19)17-13/h6,8,10H,2-5,7,9,16H2,1H3,(H,17,19)
InChIKeyUQIPXDWJVWCQGB-UHFFFAOYSA-N
XLogP1.63
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one (CID 63973072) is 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one is COCC1CCN(c2cc3c(cc2N)CC(=O)N3)CC1.
What is the InChIKey of 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is UQIPXDWJVWCQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-9-10-2-4-18(5-3-10)14-8-13-11(6-12(14)16)7-15(19)17-13/h6,8,10H,2-5,7,9,16H2,1H3,(H,17,19).
What are the key properties of 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one?
5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 63973072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).