[1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate

C11H14N4O4 — CID 139390117

IUPAC[1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(c2ccc([N+](=O)[O-])nc2)CC1
InChIInChI=1S/C11H14N4O4/c12-11(16)19-9-3-5-14(6-4-9)8-1-2-10(13-7-8)15(17)18/h1-2,7,9H,3-6H2,(H2,12,16)
InChIKeyQYXDLHWEANRRFD-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.05
Rot. Bonds3

About [1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate

[1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate (PubChem CID 139390117) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is [1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate
PubChem CID139390117
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name[1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(c2ccc([N+](=O)[O-])nc2)CC1
InChIInChI=1S/C11H14N4O4/c12-11(16)19-9-3-5-14(6-4-9)8-1-2-10(13-7-8)15(17)18/h1-2,7,9H,3-6H2,(H2,12,16)
InChIKeyQYXDLHWEANRRFD-UHFFFAOYSA-N
XLogP1.05
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 [1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate?
The IUPAC name of [1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate (CID 139390117) is [1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate.
What is the SMILES notation for [1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate?
The canonical SMILES for [1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate is NC(=O)OC1CCN(c2ccc([N+](=O)[O-])nc2)CC1.
What is the InChIKey of [1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate?
The InChIKey is QYXDLHWEANRRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c12-11(16)19-9-3-5-14(6-4-9)8-1-2-10(13-7-8)15(17)18/h1-2,7,9H,3-6H2,(H2,12,16).
What are the key properties of [1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate?
[1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate has a molecular weight of 266.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate is sourced from PubChem (CID 139390117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).