N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide

C14H20N2O3 — CID 114504406

IUPACN-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
SMILESCC1CN(C)CCC1NC(=O)c1cccc(O)c1O
InChIInChI=1S/C14H20N2O3/c1-9-8-16(2)7-6-11(9)15-14(19)10-4-3-5-12(17)13(10)18/h3-5,9,11,17-18H,6-8H2,1-2H3,(H,15,19)
InChIKeySMJCXERBMINUMK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.17
Rot. Bonds2

About N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide

N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide (PubChem CID 114504406) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
PubChem CID114504406
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
SMILESCC1CN(C)CCC1NC(=O)c1cccc(O)c1O
InChIInChI=1S/C14H20N2O3/c1-9-8-16(2)7-6-11(9)15-14(19)10-4-3-5-12(17)13(10)18/h3-5,9,11,17-18H,6-8H2,1-2H3,(H,15,19)
InChIKeySMJCXERBMINUMK-UHFFFAOYSA-N
XLogP1.17
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
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

N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide
CID 114505924
N-(1,3-dimethylpiperidin-4-yl)-2-(2-hydroxyphenyl)acetamide
CID 115603667
2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 115765983
6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide
CID 115600288
N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide
CID 107036333
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
CID 102706008
N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinylpyridine-2-carboxamide
CID 114505987
2-amino-N-(1,3-dimethylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 105387679
N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide
CID 114505976
5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide
CID 115741001
2-[(2,3-dihydroxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 114343415
3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 107873193

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide (CID 114504406) is N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide is CC1CN(C)CCC1NC(=O)c1cccc(O)c1O.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide?
The InChIKey is SMJCXERBMINUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-8-16(2)7-6-11(9)15-14(19)10-4-3-5-12(17)13(10)18/h3-5,9,11,17-18H,6-8H2,1-2H3,(H,15,19).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide?
N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114504406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).