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

C12H18ClN3O4 — CID 3077121

IUPAC5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H17N3O4.ClH/c16-12(10-4-5-11(19-10)15(17)18)13-6-9-14-7-2-1-3-8-14;/h4-5H,1-3,6-9H2,(H,13,16);1H
InChIKeyQVHMRHQOPLCEPV-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.83
Rot. Bonds5

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

5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide;hydrochloride (PubChem CID 3077121) has the molecular formula C12H18ClN3O4 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide;hydrochloride
PubChem CID3077121
Molecular FormulaC12H18ClN3O4
Molecular Weight303.75 g/mol
Exact Mass303.10
IUPAC Name5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H17N3O4.ClH/c16-12(10-4-5-11(19-10)15(17)18)13-6-9-14-7-2-1-3-8-14;/h4-5H,1-3,6-9H2,(H,13,16);1H
InChIKeyQVHMRHQOPLCEPV-UHFFFAOYSA-N
XLogP1.83
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-morpholinophenyl)-5-nitrofuran-2-carboxamide
CID 2996093
(4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 726209
N-(4-morpholin-4-ylphenyl)-5-nitrofuran-2-carboxamide
CID 774021
N-[2-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 953649
N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
CID 694001
N-benzyl-5-nitrofuran-2-carboxamide
CID 2796393
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 3161426
5-Nitro-furan-2-carboxylic acid (4-piperidin-1-yl-phenyl)-amide
CID 774956
[2-(Cyclohexylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2387307
(Hexahydro-1H-azepin-1-yl)(5-nitro-2-furanyl)methanone
CID 2435526
(2-Ethyl-piperidin-1-yl)-(5-nitro-furan-2-yl)-methanone
CID 2836735
(3-Methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone
CID 2843374

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide;hydrochloride (CID 3077121) is 5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide;hydrochloride is Cl.O=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide;hydrochloride?
The InChIKey is QVHMRHQOPLCEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4.ClH/c16-12(10-4-5-11(19-10)15(17)18)13-6-9-14-7-2-1-3-8-14;/h4-5H,1-3,6-9H2,(H,13,16);1H.
What are the key properties of 5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide;hydrochloride?
5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide;hydrochloride has a molecular weight of 303.75 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-piperidin-1-ylethyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 3077121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).