2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide

C14H21N3O3 — CID 114345025

IUPAC2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCN(CCN1CCNCC1)C(=O)c1cccc(O)c1O
InChIInChI=1S/C14H21N3O3/c1-16(9-10-17-7-5-15-6-8-17)14(20)11-3-2-4-12(18)13(11)19/h2-4,15,18-19H,5-10H2,1H3
InChIKeyMDJHXJYGLIJTDB-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.08
Rot. Bonds4

About 2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide

2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 114345025) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID114345025
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCN(CCN1CCNCC1)C(=O)c1cccc(O)c1O
InChIInChI=1S/C14H21N3O3/c1-16(9-10-17-7-5-15-6-8-17)14(20)11-3-2-4-12(18)13(11)19/h2-4,15,18-19H,5-10H2,1H3
InChIKeyMDJHXJYGLIJTDB-UHFFFAOYSA-N
XLogP0.08
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2,4-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265416
2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81477116
2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265748
N-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 55168297
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
2-hydroxy-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63211055
N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 63265449
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265586
N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide
CID 104671415
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
N-methyl-N-(2-piperazin-1-ylethyl)-1H-indazole-3-carboxamide
CID 63265749

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide (CID 114345025) is 2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide is CN(CCN1CCNCC1)C(=O)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is MDJHXJYGLIJTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16(9-10-17-7-5-15-6-8-17)14(20)11-3-2-4-12(18)13(11)19/h2-4,15,18-19H,5-10H2,1H3.
What are the key properties of 2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 114345025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).