N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide

C12H16N4O5 — CID 60801053

IUPACN-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide
SMILESNC(=O)CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCNCC1
InChIInChI=1S/C12H16N4O5/c13-10(17)7-15(8-3-5-14-6-4-8)12(18)9-1-2-11(21-9)16(19)20/h1-2,8,14H,3-7H2,(H2,13,17)
InChIKeyCXLOXLFTLNDAAR-UHFFFAOYSA-N
MW296.28 g/mol
LogP-0.13
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide

N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide (PubChem CID 60801053) has the molecular formula C12H16N4O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide
PubChem CID60801053
Molecular FormulaC12H16N4O5
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC NameN-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide
SMILESNC(=O)CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCNCC1
InChIInChI=1S/C12H16N4O5/c13-10(17)7-15(8-3-5-14-6-4-8)12(18)9-1-2-11(21-9)16(19)20/h1-2,8,14H,3-7H2,(H2,13,17)
InChIKeyCXLOXLFTLNDAAR-UHFFFAOYSA-N
XLogP-0.13
TPSA131.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.13
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-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide
CID 54923700
N-(2-chloroethyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide
CID 102872638
N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide
CID 102871926
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 31784519
N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide
CID 60802278
N-(2-amino-2-oxoethyl)-2-(4-chlorophenyl)-N-piperidin-4-ylacetamide
CID 60801057
5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
CID 62379342
N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyridine-3-carboxamide
CID 60800355
N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide
CID 79213778
N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 116651623
N-(cyclopropylmethyl)-5-nitro-N-prop-2-ynylfuran-2-carboxamide
CID 113330101

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide (CID 60801053) is N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide is NC(=O)CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCNCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide?
The InChIKey is CXLOXLFTLNDAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O5/c13-10(17)7-15(8-3-5-14-6-4-8)12(18)9-1-2-11(21-9)16(19)20/h1-2,8,14H,3-7H2,(H2,13,17).
What are the key properties of N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide?
N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide has a molecular weight of 296.28 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 60801053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).