2,3-dihydroxy-N-piperidin-3-ylbenzamide

C12H16N2O3 — CID 114343480

IUPAC2,3-dihydroxy-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1cccc(O)c1O
InChIInChI=1S/C12H16N2O3/c15-10-5-1-4-9(11(10)16)12(17)14-8-3-2-6-13-7-8/h1,4-5,8,13,15-16H,2-3,6-7H2,(H,14,17)
InChIKeyRHPVREOEZDLABN-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.58
Rot. Bonds2

About 2,3-dihydroxy-N-piperidin-3-ylbenzamide

2,3-dihydroxy-N-piperidin-3-ylbenzamide (PubChem CID 114343480) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2,3-dihydroxy-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-piperidin-3-ylbenzamide
PubChem CID114343480
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2,3-dihydroxy-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1cccc(O)c1O
InChIInChI=1S/C12H16N2O3/c15-10-5-1-4-9(11(10)16)12(17)14-8-3-2-6-13-7-8/h1,4-5,8,13,15-16H,2-3,6-7H2,(H,14,17)
InChIKeyRHPVREOEZDLABN-UHFFFAOYSA-N
XLogP0.58
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 24708250
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
N-piperidin-3-yl-1H-indole-4-carboxamide
CID 63321491
N-[(3R)-piperidin-3-yl]-1H-indole-4-carboxamide
CID 104645556
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,3-dihydroxybenzamide
CID 104894014
N-piperidin-3-ylbenzamide
CID 22017045
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
1-methyl-2-oxo-N-piperidin-3-ylpyridine-3-carboxamide;hydrochloride
CID 119424588

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-piperidin-3-ylbenzamide?
The IUPAC name of 2,3-dihydroxy-N-piperidin-3-ylbenzamide (CID 114343480) is 2,3-dihydroxy-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 2,3-dihydroxy-N-piperidin-3-ylbenzamide?
The canonical SMILES for 2,3-dihydroxy-N-piperidin-3-ylbenzamide is O=C(NC1CCCNC1)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-piperidin-3-ylbenzamide?
The InChIKey is RHPVREOEZDLABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-10-5-1-4-9(11(10)16)12(17)14-8-3-2-6-13-7-8/h1,4-5,8,13,15-16H,2-3,6-7H2,(H,14,17).
What are the key properties of 2,3-dihydroxy-N-piperidin-3-ylbenzamide?
2,3-dihydroxy-N-piperidin-3-ylbenzamide has a molecular weight of 236.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 114343480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).