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

C18H20N4O5 — CID 37376311

IUPAC3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide
SMILESO=C(CCN1CCN(C(=O)c2ccco2)CC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H20N4O5/c23-17(19-14-3-1-4-15(13-14)22(25)26)6-7-20-8-10-21(11-9-20)18(24)16-5-2-12-27-16/h1-5,12-13H,6-11H2,(H,19,23)
InChIKeyKXOJNODJQHGAPK-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.97
Rot. Bonds6

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

3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide (PubChem CID 37376311) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide
PubChem CID37376311
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide
SMILESO=C(CCN1CCN(C(=O)c2ccco2)CC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H20N4O5/c23-17(19-14-3-1-4-15(13-14)22(25)26)6-7-20-8-10-21(11-9-20)18(24)16-5-2-12-27-16/h1-5,12-13H,6-11H2,(H,19,23)
InChIKeyKXOJNODJQHGAPK-UHFFFAOYSA-N
XLogP1.97
TPSA108.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.97
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

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 1452101
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide
CID 27154833
N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376304
N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030213
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 8932775
1-[3-(3-nitroanilino)-3-oxopropyl]-N-phenylpiperidine-4-carboxamide
CID 46685685
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173
N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide
CID 7965625
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030220
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide?
The IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide (CID 37376311) is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide is O=C(CCN1CCN(C(=O)c2ccco2)CC1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide?
The InChIKey is KXOJNODJQHGAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c23-17(19-14-3-1-4-15(13-14)22(25)26)6-7-20-8-10-21(11-9-20)18(24)16-5-2-12-27-16/h1-5,12-13H,6-11H2,(H,19,23).
What are the key properties of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide?
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide has a molecular weight of 372.38 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 37376311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).