2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide

C14H20N4O3 — CID 107074633

IUPAC2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cc(O)ccc2N)CC1
InChIInChI=1S/C14H20N4O3/c1-16-13(20)9-17-4-6-18(7-5-17)14(21)11-8-10(19)2-3-12(11)15/h2-3,8,19H,4-7,9,15H2,1H3,(H,16,20)
InChIKeyDHYUOICOQBIXGG-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.52
Rot. Bonds3

About 2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide

2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 107074633) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID107074633
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cc(O)ccc2N)CC1
InChIInChI=1S/C14H20N4O3/c1-16-13(20)9-17-4-6-18(7-5-17)14(21)11-8-10(19)2-3-12(11)15/h2-3,8,19H,4-7,9,15H2,1H3,(H,16,20)
InChIKeyDHYUOICOQBIXGG-UHFFFAOYSA-N
XLogP-0.52
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 107074618
2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 61114166
2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110835
(2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 107073666
(2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107075240
2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 103908954
2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110866
2-[4-(2,5-dihydroxybenzoyl)piperazin-1-yl]ethanethioamide
CID 107722116
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
CID 60937478
(2-amino-5-hydroxyphenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 154914602
2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 60588635
(2-amino-5-hydroxyphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107075819

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide (CID 107074633) is 2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)c2cc(O)ccc2N)CC1.
What is the InChIKey of 2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is DHYUOICOQBIXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-16-13(20)9-17-4-6-18(7-5-17)14(21)11-8-10(19)2-3-12(11)15/h2-3,8,19H,4-7,9,15H2,1H3,(H,16,20).
What are the key properties of 2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 292.34 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 107074633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).