1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide

C13H15N3O4 — CID 89354748

IUPAC1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide
SMILESNc1cccc(C(=O)N2CCC(C(=O)N=O)CC2)c1O
InChIInChI=1S/C13H15N3O4/c14-10-3-1-2-9(11(10)17)13(19)16-6-4-8(5-7-16)12(18)15-20/h1-3,8,17H,4-7,14H2
InChIKeyUPAXOKJCFYKRAE-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.12
Rot. Bonds2

About 1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide

1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide (PubChem CID 89354748) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide
PubChem CID89354748
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide
SMILESNc1cccc(C(=O)N2CCC(C(=O)N=O)CC2)c1O
InChIInChI=1S/C13H15N3O4/c14-10-3-1-2-9(11(10)17)13(19)16-6-4-8(5-7-16)12(18)15-20/h1-3,8,17H,4-7,14H2
InChIKeyUPAXOKJCFYKRAE-UHFFFAOYSA-N
XLogP1.12
TPSA113.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 58736577
(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 20772795
(3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane
CID 143389345
(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 58736699
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
(3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 58736410
(3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 113386508
methyl 1-(2,3-dihydroxybenzoyl)piperidine-4-carboxylate
CID 114343728
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
1-(2-aminobenzoyl)pyrrolidine-3-carboxylic acid
CID 22322640
[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 119944801

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide (CID 89354748) is 1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide is Nc1cccc(C(=O)N2CCC(C(=O)N=O)CC2)c1O.
What is the InChIKey of 1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide?
The InChIKey is UPAXOKJCFYKRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c14-10-3-1-2-9(11(10)17)13(19)16-6-4-8(5-7-16)12(18)15-20/h1-3,8,17H,4-7,14H2.
What are the key properties of 1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide?
1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide is sourced from PubChem (CID 89354748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).