3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide

C14H20N2O4 — CID 107728729

IUPAC3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide
SMILESO=C(NCCOC1CCNCC1)c1ccc(O)c(O)c1
InChIInChI=1S/C14H20N2O4/c17-12-2-1-10(9-13(12)18)14(19)16-7-8-20-11-3-5-15-6-4-11/h1-2,9,11,15,17-18H,3-8H2,(H,16,19)
InChIKeyHBVZBHVVAJGVJB-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.60
Rot. Bonds5

About 3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide

3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide (PubChem CID 107728729) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide
PubChem CID107728729
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide
SMILESO=C(NCCOC1CCNCC1)c1ccc(O)c(O)c1
InChIInChI=1S/C14H20N2O4/c17-12-2-1-10(9-13(12)18)14(19)16-7-8-20-11-3-5-15-6-4-11/h1-2,9,11,15,17-18H,3-8H2,(H,16,19)
InChIKeyHBVZBHVVAJGVJB-UHFFFAOYSA-N
XLogP0.60
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 55251922
3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 107956118
4-ethyl-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869936
N-(2-piperidin-4-yloxyethyl)-1H-indazole-6-carboxamide
CID 63871270
4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide
CID 79217625
N-(2-piperidin-4-yloxyethyl)furan-3-carboxamide
CID 63870938
2-hydroxy-4-methyl-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63870104
3-bromo-5-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869779
2-chloro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63871254
N-(2-piperidin-4-yloxyethyl)furan-2-carboxamide
CID 55251726
N-(2-piperidin-4-yloxyethyl)thiadiazole-4-carboxamide
CID 65215902
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide?
The IUPAC name of 3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide (CID 107728729) is 3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide?
The canonical SMILES for 3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide is O=C(NCCOC1CCNCC1)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide?
The InChIKey is HBVZBHVVAJGVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-12-2-1-10(9-13(12)18)14(19)16-7-8-20-11-3-5-15-6-4-11/h1-2,9,11,15,17-18H,3-8H2,(H,16,19).
What are the key properties of 3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide?
3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide has a molecular weight of 280.32 g/mol, XLogP of 0.60, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide is sourced from PubChem (CID 107728729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).