5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride

C11H17ClN4O4 — CID 119445931

IUPAC5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H16N4O4.ClH/c16-11(9-1-2-10(19-9)15(17)18)13-5-8-14-6-3-12-4-7-14;/h1-2,12H,3-8H2,(H,13,16);1H
InChIKeyHGQNVSCBENHHGZ-UHFFFAOYSA-N
MW304.73 g/mol
LogP0.24
Rot. Bonds5

About 5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride

5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride (PubChem CID 119445931) has the molecular formula C11H17ClN4O4 and a molecular weight of 304.73 g/mol. Its IUPAC name is 5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride
PubChem CID119445931
Molecular FormulaC11H17ClN4O4
Molecular Weight304.73 g/mol
Exact Mass304.09
IUPAC Name5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H16N4O4.ClH/c16-11(9-1-2-10(19-9)15(17)18)13-5-8-14-6-3-12-4-7-14;/h1-2,12H,3-8H2,(H,13,16);1H
InChIKeyHGQNVSCBENHHGZ-UHFFFAOYSA-N
XLogP0.24
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide
CID 34999671
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-nitrofuran-2-carboxamide
CID 94116270
5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
CID 71782824
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-(3-aminopropyl)-5-nitrofuran-2-carboxamide
CID 24697621
3-methyl-4-nitro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447275
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide
CID 94119592
5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
CID 62379342
5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 119392043
N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
CID 103919565
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide
CID 120943472
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride (CID 119445931) is 5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride?
The InChIKey is HGQNVSCBENHHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4.ClH/c16-11(9-1-2-10(19-9)15(17)18)13-5-8-14-6-3-12-4-7-14;/h1-2,12H,3-8H2,(H,13,16);1H.
What are the key properties of 5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride?
5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride has a molecular weight of 304.73 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119445931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).