1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide

C13H15N3O5 — CID 102741575

IUPAC1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O5/c14-12(18)11-3-1-2-6-15(11)13(19)9-7-8(17)4-5-10(9)16(20)21/h4-5,7,11,17H,1-3,6H2,(H2,14,18)
InChIKeyPHTTVSQGCZOILR-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.78
Rot. Bonds3

About 1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide

1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide (PubChem CID 102741575) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide
PubChem CID102741575
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O5/c14-12(18)11-3-1-2-6-15(11)13(19)9-7-8(17)4-5-10(9)16(20)21/h4-5,7,11,17H,1-3,6H2,(H2,14,18)
InChIKeyPHTTVSQGCZOILR-UHFFFAOYSA-N
XLogP0.78
TPSA126.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.78
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

1-(2,5-dihydroxybenzoyl)piperidine-2-carboxamide
CID 107722668
azepan-1-yl-(5-hydroxy-2-nitrophenyl)methanone
CID 102740374
1-(2-nitrobenzoyl)piperidine-2-carboxylic acid
CID 16783189
1-(2,4-dihydroxybenzoyl)piperidine-2-carbothioamide
CID 107722124
1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxamide
CID 54943176
(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid
CID 106500348
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxamide
CID 62508896
1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide
CID 107026087
(5-hydroxy-2-nitrophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107076691
5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide
CID 107076391
(5-chloro-2-nitrophenyl)-(2-ethylazepan-1-yl)methanone
CID 115642385

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide?
The IUPAC name of 1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide (CID 102741575) is 1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide?
The InChIKey is PHTTVSQGCZOILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c14-12(18)11-3-1-2-6-15(11)13(19)9-7-8(17)4-5-10(9)16(20)21/h4-5,7,11,17H,1-3,6H2,(H2,14,18).
What are the key properties of 1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide?
1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide is sourced from PubChem (CID 102741575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).