1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide

C17H17N3O5 — CID 33089265

IUPAC1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1
InChIInChI=1S/C17H17N3O5/c21-16(18-13-4-2-1-3-5-13)12-8-10-19(11-9-12)17(22)14-6-7-15(25-14)20(23)24/h1-7,12H,8-11H2,(H,18,21)
InChIKeyOGFXTSKQFIGPBL-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.68
Rot. Bonds4

About 1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide

1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 33089265) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
PubChem CID33089265
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1
InChIInChI=1S/C17H17N3O5/c21-16(18-13-4-2-1-3-5-13)12-8-10-19(11-9-12)17(22)14-6-7-15(25-14)20(23)24/h1-7,12H,8-11H2,(H,18,21)
InChIKeyOGFXTSKQFIGPBL-UHFFFAOYSA-N
XLogP2.68
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.68
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

N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide
CID 33097638
[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 119560801
1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide
CID 90512210
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
2-[1-(5-nitrofuran-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980622
methyl 4-[[1-(5-nitrofuran-2-carbonyl)azetidine-3-carbonyl]amino]benzoate
CID 90512154
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 81485588
1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 9134208
1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90512250
1-(5-nitrofuran-2-carbonyl)-N-[2-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90512137
1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 55930145

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide (CID 33089265) is 1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1.
What is the InChIKey of 1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is OGFXTSKQFIGPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c21-16(18-13-4-2-1-3-5-13)12-8-10-19(11-9-12)17(22)14-6-7-15(25-14)20(23)24/h1-7,12H,8-11H2,(H,18,21).
What are the key properties of 1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide?
1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 33089265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).