[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid

C11H14N4O4 — CID 69046948

IUPAC[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCCN(c2ccncc2[N+](=O)[O-])C1
InChIInChI=1S/C11H14N4O4/c16-11(17)13-8-2-1-5-14(7-8)9-3-4-12-6-10(9)15(18)19/h3-4,6,8,13H,1-2,5,7H2,(H,16,17)
InChIKeySDHFWOOZKUBYTA-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.23
Rot. Bonds3

About [1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid

[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid (PubChem CID 69046948) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is [1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
PubChem CID69046948
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCCN(c2ccncc2[N+](=O)[O-])C1
InChIInChI=1S/C11H14N4O4/c16-11(17)13-8-2-1-5-14(7-8)9-3-4-12-6-10(9)15(18)19/h3-4,6,8,13H,1-2,5,7H2,(H,16,17)
InChIKeySDHFWOOZKUBYTA-UHFFFAOYSA-N
XLogP1.23
TPSA108.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.23
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 [1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid?
The IUPAC name of [1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid (CID 69046948) is [1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid?
The canonical SMILES for [1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid is O=C(O)NC1CCCN(c2ccncc2[N+](=O)[O-])C1.
What is the InChIKey of [1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid?
The InChIKey is SDHFWOOZKUBYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c16-11(17)13-8-2-1-5-14(7-8)9-3-4-12-6-10(9)15(18)19/h3-4,6,8,13H,1-2,5,7H2,(H,16,17).
What are the key properties of [1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid?
[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid has a molecular weight of 266.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 69046948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).