2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide

C14H20N2O3 — CID 114345124

IUPAC2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2cccc(O)c2O)CCCNC1
InChIInChI=1S/C14H20N2O3/c1-14(6-3-7-15-8-14)9-16-13(19)10-4-2-5-11(17)12(10)18/h2,4-5,15,17-18H,3,6-9H2,1H3,(H,16,19)
InChIKeyJPSAZSDHMDCDIJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.22
Rot. Bonds3

About 2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide

2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide (PubChem CID 114345124) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
PubChem CID114345124
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2cccc(O)c2O)CCCNC1
InChIInChI=1S/C14H20N2O3/c1-14(6-3-7-15-8-14)9-16-13(19)10-4-2-5-11(17)12(10)18/h2,4-5,15,17-18H,3,6-9H2,1H3,(H,16,19)
InChIKeyJPSAZSDHMDCDIJ-UHFFFAOYSA-N
XLogP1.22
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.22
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-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 107677215
N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040294
1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea
CID 107654302
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
N-[(1-ethylcyclopropyl)methyl]-2,3-dihydroxybenzamide
CID 104931813
N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide
CID 104671755
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,3-dihydroxybenzamide
CID 114345326
N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558596
5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide
CID 114217968
5-ethyl-N-[(3-methylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 113400454
N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 113400474
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 113400496

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide (CID 114345124) is 2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide is CC1(CNC(=O)c2cccc(O)c2O)CCCNC1.
What is the InChIKey of 2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide?
The InChIKey is JPSAZSDHMDCDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(6-3-7-15-8-14)9-16-13(19)10-4-2-5-11(17)12(10)18/h2,4-5,15,17-18H,3,6-9H2,1H3,(H,16,19).
What are the key properties of 2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide?
2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 114345124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).