2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide

C14H19N5O4 — CID 108513115

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide
SMILESNCCN1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H19N5O4/c15-5-6-17-7-9-18(10-8-17)14(21)13(20)16-11-1-3-12(4-2-11)19(22)23/h1-4H,5-10,15H2,(H,16,20)
InChIKeyFINYWLDLCYHZDR-UHFFFAOYSA-N
MW321.34 g/mol
LogP-0.36
Rot. Bonds4

About 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide

2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide (PubChem CID 108513115) has the molecular formula C14H19N5O4 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide
PubChem CID108513115
Molecular FormulaC14H19N5O4
Molecular Weight321.34 g/mol
Exact Mass321.14
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide
SMILESNCCN1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H19N5O4/c15-5-6-17-7-9-18(10-8-17)14(21)13(20)16-11-1-3-12(4-2-11)19(22)23/h1-4H,5-10,15H2,(H,16,20)
InChIKeyFINYWLDLCYHZDR-UHFFFAOYSA-N
XLogP-0.36
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
CID 18588520
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515651
2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine
CID 28913887
(Z)-2-[4-(2-aminoethyl)piperazine-1-carbonyl]-3-(3-nitroanilino)prop-2-enenitrile
CID 108863818
2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate
CID 177431935
4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 17299501
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide
CID 108522934
ethyl 1-[2-(4-nitroanilino)-2-oxoacetyl]piperidine-3-carboxylate
CID 108513134
N-(4-tert-butylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522878
N-(4-nitrophenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide
CID 17386361
2-(2,5-dioxopyrrol-1-yl)ethyl N-(4-nitrophenyl)carbamate
CID 71294606
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide (CID 108513115) is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide is NCCN1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide?
The InChIKey is FINYWLDLCYHZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4/c15-5-6-17-7-9-18(10-8-17)14(21)13(20)16-11-1-3-12(4-2-11)19(22)23/h1-4H,5-10,15H2,(H,16,20).
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide?
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide has a molecular weight of 321.34 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide is sourced from PubChem (CID 108513115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).