5-nitro-2-piperidin-4-yloxybenzamide

C12H15N3O4 — CID 62342062

IUPAC5-nitro-2-piperidin-4-yloxybenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1OC1CCNCC1
InChIInChI=1S/C12H15N3O4/c13-12(16)10-7-8(15(17)18)1-2-11(10)19-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H2,13,16)
InChIKeyJRGSGDKDIOZFPI-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.82
Rot. Bonds4

About 5-nitro-2-piperidin-4-yloxybenzamide

5-nitro-2-piperidin-4-yloxybenzamide (PubChem CID 62342062) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-nitro-2-piperidin-4-yloxybenzamide.

Molecular Properties

Compound Name5-nitro-2-piperidin-4-yloxybenzamide
PubChem CID62342062
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-nitro-2-piperidin-4-yloxybenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1OC1CCNCC1
InChIInChI=1S/C12H15N3O4/c13-12(16)10-7-8(15(17)18)1-2-11(10)19-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H2,13,16)
InChIKeyJRGSGDKDIOZFPI-UHFFFAOYSA-N
XLogP0.82
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.82
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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Related Compounds

4-(2,4-dinitrophenoxy)piperidine
CID 62342248
4-(2-bromo-4-nitrophenoxy)piperidine
CID 62347639
2-aminooxy-5-nitrobenzamide
CID 79421918
4-(4-nitrophenoxy)piperidine;hydrochloride
CID 22591401
2-(4-methylcyclohexyl)oxy-5-nitrobenzoic acid
CID 43184670
3-(2-fluoro-4-nitrophenoxy)pyrrolidine
CID 62328282
5-nitro-2-(trifluoromethoxy)benzamide
CID 131869132
5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide
CID 118167791
5-nitro-2-(piperidin-3-ylamino)benzamide
CID 63318654
ethane;4-(3-nitrophenoxy)piperidine
CID 156721949
2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
CID 141015249
1-[5-nitro-2-(oxolan-3-yloxy)phenyl]ethanone
CID 63556464

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-piperidin-4-yloxybenzamide?
The IUPAC name of 5-nitro-2-piperidin-4-yloxybenzamide (CID 62342062) is 5-nitro-2-piperidin-4-yloxybenzamide.
What is the SMILES notation for 5-nitro-2-piperidin-4-yloxybenzamide?
The canonical SMILES for 5-nitro-2-piperidin-4-yloxybenzamide is NC(=O)c1cc([N+](=O)[O-])ccc1OC1CCNCC1.
What is the InChIKey of 5-nitro-2-piperidin-4-yloxybenzamide?
The InChIKey is JRGSGDKDIOZFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c13-12(16)10-7-8(15(17)18)1-2-11(10)19-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H2,13,16).
What are the key properties of 5-nitro-2-piperidin-4-yloxybenzamide?
5-nitro-2-piperidin-4-yloxybenzamide has a molecular weight of 265.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-piperidin-4-yloxybenzamide is sourced from PubChem (CID 62342062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).