2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide

C15H22N2O3 — CID 114344224

IUPAC2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(O)c1O)N1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-11(17-8-3-2-4-9-17)10-16-15(20)12-6-5-7-13(18)14(12)19/h5-7,11,18-19H,2-4,8-10H2,1H3,(H,16,20)
InChIKeyFORPPNGPDIISAD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.70
Rot. Bonds4

About 2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide

2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide (PubChem CID 114344224) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
PubChem CID114344224
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(O)c1O)N1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-11(17-8-3-2-4-9-17)10-16-15(20)12-6-5-7-13(18)14(12)19/h5-7,11,18-19H,2-4,8-10H2,1H3,(H,16,20)
InChIKeyFORPPNGPDIISAD-UHFFFAOYSA-N
XLogP1.70
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.70
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

2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
2-fluoro-6-hydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 104916991
2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 78918066
3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 79035923
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
2-(2-hydroxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 78916880
2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 94671216
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-7-carboxamide
CID 79035908
3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
CID 95284101
2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide
CID 63659855
2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 114344897
2-amino-3-nitro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 115678974

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide (CID 114344224) is 2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide is CC(CNC(=O)c1cccc(O)c1O)N1CCCCC1.
What is the InChIKey of 2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide?
The InChIKey is FORPPNGPDIISAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(17-8-3-2-4-9-17)10-16-15(20)12-6-5-7-13(18)14(12)19/h5-7,11,18-19H,2-4,8-10H2,1H3,(H,16,20).
What are the key properties of 2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide?
2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 114344224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).