1-(4-nitro-2-phenylfuran-3-yl)piperazine

C14H15N3O3 — CID 91379804

IUPAC1-(4-nitro-2-phenylfuran-3-yl)piperazine
SMILESO=[N+]([O-])c1coc(-c2ccccc2)c1N1CCNCC1
InChIInChI=1S/C14H15N3O3/c18-17(19)12-10-20-14(11-4-2-1-3-5-11)13(12)16-8-6-15-7-9-16/h1-5,10,15H,6-9H2
InChIKeyKSZGRHQEPSKYNE-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.26
Rot. Bonds3

About 1-(4-nitro-2-phenylfuran-3-yl)piperazine

1-(4-nitro-2-phenylfuran-3-yl)piperazine (PubChem CID 91379804) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(4-nitro-2-phenylfuran-3-yl)piperazine.

Molecular Properties

Compound Name1-(4-nitro-2-phenylfuran-3-yl)piperazine
PubChem CID91379804
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-(4-nitro-2-phenylfuran-3-yl)piperazine
SMILESO=[N+]([O-])c1coc(-c2ccccc2)c1N1CCNCC1
InChIInChI=1S/C14H15N3O3/c18-17(19)12-10-20-14(11-4-2-1-3-5-11)13(12)16-8-6-15-7-9-16/h1-5,10,15H,6-9H2
InChIKeyKSZGRHQEPSKYNE-UHFFFAOYSA-N
XLogP2.26
TPSA71.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.26
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

8-piperazin-1-ylchromen-7-one
CID 57161677
1-(2-chloro-3-nitrophenyl)piperazine
CID 20644619
1-[2,4-dinitro-5-(1,4,7,10-tetrazacyclododec-1-yl)phenyl]-1,4,7,10-tetrazacyclododecane
CID 11713183
4-nitro-3-piperazin-1-ylbenzaldehyde
CID 175320617
ethane;1-(3-nitro-4-phenylsulfanylphenyl)piperazine
CID 91457988
1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine
CID 168527152
1-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435
1-(6-nitro-2-pyridinyl)piperazine;hydrochloride
CID 139269965
1-(4-chloro-3-nitrophenyl)piperazine
CID 4738747
N-(4-nitro-3-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride
CID 22272495
1-(2-nitro-6-piperazin-1-ylphenyl)ethanone
CID 126662095
1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine
CID 171285254

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitro-2-phenylfuran-3-yl)piperazine?
The IUPAC name of 1-(4-nitro-2-phenylfuran-3-yl)piperazine (CID 91379804) is 1-(4-nitro-2-phenylfuran-3-yl)piperazine.
What is the SMILES notation for 1-(4-nitro-2-phenylfuran-3-yl)piperazine?
The canonical SMILES for 1-(4-nitro-2-phenylfuran-3-yl)piperazine is O=[N+]([O-])c1coc(-c2ccccc2)c1N1CCNCC1.
What is the InChIKey of 1-(4-nitro-2-phenylfuran-3-yl)piperazine?
The InChIKey is KSZGRHQEPSKYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-17(19)12-10-20-14(11-4-2-1-3-5-11)13(12)16-8-6-15-7-9-16/h1-5,10,15H,6-9H2.
What are the key properties of 1-(4-nitro-2-phenylfuran-3-yl)piperazine?
1-(4-nitro-2-phenylfuran-3-yl)piperazine has a molecular weight of 273.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitro-2-phenylfuran-3-yl)piperazine is sourced from PubChem (CID 91379804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).