2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide

C15H20N4O6 — CID 108522934

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C15H20N4O6/c1-25-13-3-2-11(19(23)24)10-12(13)16-14(21)15(22)18-6-4-17(5-7-18)8-9-20/h2-3,10,20H,4-9H2,1H3,(H,16,21)
InChIKeyBVPKNRDRPCJAAW-UHFFFAOYSA-N
MW352.35 g/mol
LogP-0.32
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide (PubChem CID 108522934) has the molecular formula C15H20N4O6 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide
PubChem CID108522934
Molecular FormulaC15H20N4O6
Molecular Weight352.35 g/mol
Exact Mass352.14
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C15H20N4O6/c1-25-13-3-2-11(19(23)24)10-12(13)16-14(21)15(22)18-6-4-17(5-7-18)8-9-20/h2-3,10,20H,4-9H2,1H3,(H,16,21)
InChIKeyBVPKNRDRPCJAAW-UHFFFAOYSA-N
XLogP-0.32
TPSA125.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108532358
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518532
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
N-(2-methoxy-5-nitrophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide
CID 3758637
(2R)-2-[4-[(2R)-1-hydroxypropan-2-yl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 97221210
(2S)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 97221207
3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea
CID 3430269
N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108513047
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688749
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
N-(2-chloro-5-nitrophenyl)-4-(2-hydroxyethyl)piperazine-1-carbothioamide
CID 8618191

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide (CID 108522934) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide?
The InChIKey is BVPKNRDRPCJAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O6/c1-25-13-3-2-11(19(23)24)10-12(13)16-14(21)15(22)18-6-4-17(5-7-18)8-9-20/h2-3,10,20H,4-9H2,1H3,(H,16,21).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide has a molecular weight of 352.35 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide is sourced from PubChem (CID 108522934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).