6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one

C14H17N3O4 — CID 102954658

IUPAC6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one
SMILESCC1CCNCC1Oc1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C14H17N3O4/c1-8-2-3-15-7-13(8)21-12-6-10-9(5-14(18)16-10)4-11(12)17(19)20/h4,6,8,13,15H,2-3,5,7H2,1H3,(H,16,18)
InChIKeyIAPHRIHGAXZMRE-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.47
Rot. Bonds3

About 6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one

6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one (PubChem CID 102954658) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one
PubChem CID102954658
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one
SMILESCC1CCNCC1Oc1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C14H17N3O4/c1-8-2-3-15-7-13(8)21-12-6-10-9(5-14(18)16-10)4-11(12)17(19)20/h4,6,8,13,15H,2-3,5,7H2,1H3,(H,16,18)
InChIKeyIAPHRIHGAXZMRE-UHFFFAOYSA-N
XLogP1.47
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one (CID 102954658) is 6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one is CC1CCNCC1Oc1cc2c(cc1[N+](=O)[O-])CC(=O)N2.
What is the InChIKey of 6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is IAPHRIHGAXZMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8-2-3-15-7-13(8)21-12-6-10-9(5-14(18)16-10)4-11(12)17(19)20/h4,6,8,13,15H,2-3,5,7H2,1H3,(H,16,18).
What are the key properties of 6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one?
6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 291.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-3-yl)oxy-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 102954658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).