5-nitro-2-(piperidine-1-carbonylamino)benzoic acid

C13H15N3O5 — CID 79156697

IUPAC5-nitro-2-(piperidine-1-carbonylamino)benzoic acid
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1NC(=O)N1CCCCC1
InChIInChI=1S/C13H15N3O5/c17-12(18)10-8-9(16(20)21)4-5-11(10)14-13(19)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,19)(H,17,18)
InChIKeyWEPOWYVESIRYJV-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.31
Rot. Bonds3

About 5-nitro-2-(piperidine-1-carbonylamino)benzoic acid

5-nitro-2-(piperidine-1-carbonylamino)benzoic acid (PubChem CID 79156697) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 5-nitro-2-(piperidine-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-nitro-2-(piperidine-1-carbonylamino)benzoic acid
PubChem CID79156697
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name5-nitro-2-(piperidine-1-carbonylamino)benzoic acid
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1NC(=O)N1CCCCC1
InChIInChI=1S/C13H15N3O5/c17-12(18)10-8-9(16(20)21)4-5-11(10)14-13(19)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,19)(H,17,18)
InChIKeyWEPOWYVESIRYJV-UHFFFAOYSA-N
XLogP2.31
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
CID 16771086
5-iodo-2-(piperidine-1-carbonylamino)benzoic acid
CID 55179038
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
(2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62236217
2-(2-methylpropanoylamino)-5-nitrobenzoic acid
CID 16770490
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
1-[(2-fluoro-4-nitrophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031918
[2-(ethylamino)-5-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 62171436
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-nitrobenzoic acid
CID 18405577
5-[3-carboxy-4-[(2-chloro-5-nitrobenzoyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]benzoic acid
CID 5121715
2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid
CID 83016908
2-(azetidine-1-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22143302

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(piperidine-1-carbonylamino)benzoic acid?
The IUPAC name of 5-nitro-2-(piperidine-1-carbonylamino)benzoic acid (CID 79156697) is 5-nitro-2-(piperidine-1-carbonylamino)benzoic acid.
What is the SMILES notation for 5-nitro-2-(piperidine-1-carbonylamino)benzoic acid?
The canonical SMILES for 5-nitro-2-(piperidine-1-carbonylamino)benzoic acid is O=C(O)c1cc([N+](=O)[O-])ccc1NC(=O)N1CCCCC1.
What is the InChIKey of 5-nitro-2-(piperidine-1-carbonylamino)benzoic acid?
The InChIKey is WEPOWYVESIRYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c17-12(18)10-8-9(16(20)21)4-5-11(10)14-13(19)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,19)(H,17,18).
What are the key properties of 5-nitro-2-(piperidine-1-carbonylamino)benzoic acid?
5-nitro-2-(piperidine-1-carbonylamino)benzoic acid has a molecular weight of 293.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(piperidine-1-carbonylamino)benzoic acid is sourced from PubChem (CID 79156697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).