[2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone

C16H17N3O5 — CID 120734776

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H17N3O5/c1-23-13-5-3-2-4-11(13)12-10-17-8-9-18(12)16(20)14-6-7-15(24-14)19(21)22/h2-7,12,17H,8-10H2,1H3
InChIKeyVWPJBGPYDGNEHU-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.98
Rot. Bonds4

About [2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone

[2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone (PubChem CID 120734776) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
PubChem CID120734776
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H17N3O5/c1-23-13-5-3-2-4-11(13)12-10-17-8-9-18(12)16(20)14-6-7-15(24-14)19(21)22/h2-7,12,17H,8-10H2,1H3
InChIKeyVWPJBGPYDGNEHU-UHFFFAOYSA-N
XLogP1.98
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.98
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-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
CID 120734197
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide
CID 120733131
(5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735047
(3-fluoro-5-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735242
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
(3-fluoro-5-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735241
(3-chloro-5-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733816
(1,3-dimethyl-4-nitropyrazol-5-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734599
(4-chloro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733046
[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 120733983
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120735115

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone (CID 120734776) is [2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone is COc1ccccc1C1CNCCN1C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone?
The InChIKey is VWPJBGPYDGNEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-23-13-5-3-2-4-11(13)12-10-17-8-9-18(12)16(20)14-6-7-15(24-14)19(21)22/h2-7,12,17H,8-10H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone?
[2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone has a molecular weight of 331.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone is sourced from PubChem (CID 120734776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).