N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide

C18H19N3O5 — CID 33097638

IUPACN-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1
InChIInChI=1S/C18H19N3O5/c22-17(19-12-13-4-2-1-3-5-13)14-8-10-20(11-9-14)18(23)15-6-7-16(26-15)21(24)25/h1-7,14H,8-12H2,(H,19,22)
InChIKeyFBCYLDORMOZNJM-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.36
Rot. Bonds5

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

N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide (PubChem CID 33097638) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide
PubChem CID33097638
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1
InChIInChI=1S/C18H19N3O5/c22-17(19-12-13-4-2-1-3-5-13)14-8-10-20(11-9-14)18(23)15-6-7-16(26-15)21(24)25/h1-7,14H,8-12H2,(H,19,22)
InChIKeyFBCYLDORMOZNJM-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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Related Compounds

1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 33089265
2-[1-(5-nitrofuran-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980622
[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 119560801
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
N-benzyl-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 26653391
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 81485588
N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512094
N-[(4-chlorophenyl)methyl]-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 1301555
N-benzyl-1-(3,5-dichlorobenzoyl)piperidine-4-carboxamide
CID 41305444
1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide
CID 90512076
[4-(2-chloroethoxy)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 82701838
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide (CID 33097638) is N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1.
What is the InChIKey of N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is FBCYLDORMOZNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c22-17(19-12-13-4-2-1-3-5-13)14-8-10-20(11-9-14)18(23)15-6-7-16(26-15)21(24)25/h1-7,14H,8-12H2,(H,19,22).
What are the key properties of N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide?
N-benzyl-1-(5-nitrofuran-2-carbonyl)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-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 33097638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).