7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide

C14H19N3O4 — CID 143652684

IUPAC7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(NO)c3c2OCO3)CC1
InChIInChI=1S/C14H19N3O4/c1-17-6-4-9(5-7-17)15-14(18)10-2-3-11(16-19)13-12(10)20-8-21-13/h2-3,9,16,19H,4-8H2,1H3,(H,15,18)
InChIKeyKQRGEEKVASACRQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.04
Rot. Bonds3

About 7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide

7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide (PubChem CID 143652684) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound Name7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide
PubChem CID143652684
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(NO)c3c2OCO3)CC1
InChIInChI=1S/C14H19N3O4/c1-17-6-4-9(5-7-17)15-14(18)10-2-3-11(16-19)13-12(10)20-8-21-13/h2-3,9,16,19H,4-8H2,1H3,(H,15,18)
InChIKeyKQRGEEKVASACRQ-UHFFFAOYSA-N
XLogP1.04
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide?
The IUPAC name of 7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide (CID 143652684) is 7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for 7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for 7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide is CN1CCC(NC(=O)c2ccc(NO)c3c2OCO3)CC1.
What is the InChIKey of 7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide?
The InChIKey is KQRGEEKVASACRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-17-6-4-9(5-7-17)15-14(18)10-2-3-11(16-19)13-12(10)20-8-21-13/h2-3,9,16,19H,4-8H2,1H3,(H,15,18).
What are the key properties of 7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide?
7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 143652684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).