2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide

C17H18N4O5 — CID 1452101

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H18N4O5/c22-16(18-13-3-1-4-14(11-13)21(24)25)12-19-6-8-20(9-7-19)17(23)15-5-2-10-26-15/h1-5,10-11H,6-9,12H2,(H,18,22)
InChIKeyQVLPFYJOKMDYRR-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.58
Rot. Bonds5

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide (PubChem CID 1452101) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
PubChem CID1452101
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H18N4O5/c22-16(18-13-3-1-4-14(11-13)21(24)25)12-19-6-8-20(9-7-19)17(23)15-5-2-10-26-15/h1-5,10-11H,6-9,12H2,(H,18,22)
InChIKeyQVLPFYJOKMDYRR-UHFFFAOYSA-N
XLogP1.58
TPSA108.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
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

3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide
CID 37376311
N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide
CID 27154833
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 8932775
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8549513
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 16608517
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 3539401
N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide
CID 7965625

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide (CID 1452101) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide is O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide?
The InChIKey is QVLPFYJOKMDYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c22-16(18-13-3-1-4-14(11-13)21(24)25)12-19-6-8-20(9-7-19)17(23)15-5-2-10-26-15/h1-5,10-11H,6-9,12H2,(H,18,22).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide has a molecular weight of 358.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 1452101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).