N-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide

C18H19N3O5 — CID 1286185

IUPACN-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C18H19N3O5/c22-17(19-12-16-2-1-11-26-16)13-7-9-20(10-8-13)18(23)14-3-5-15(6-4-14)21(24)25/h1-6,11,13H,7-10,12H2,(H,19,22)
InChIKeyGZVBNEQGJFQGCW-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.36
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide (PubChem CID 1286185) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
PubChem CID1286185
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C18H19N3O5/c22-17(19-12-16-2-1-11-26-16)13-7-9-20(10-8-13)18(23)14-3-5-15(6-4-14)21(24)25/h1-6,11,13H,7-10,12H2,(H,19,22)
InChIKeyGZVBNEQGJFQGCW-UHFFFAOYSA-N
XLogP2.36
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide (CID 1286185) is N-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide?
The InChIKey is GZVBNEQGJFQGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c22-17(19-12-16-2-1-11-26-16)13-7-9-20(10-8-13)18(23)14-3-5-15(6-4-14)21(24)25/h1-6,11,13H,7-10,12H2,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1286185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).