N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide

C15H15N3O5S — CID 16613614

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C15H15N3O5S/c19-14(12-3-4-13(24-12)18(21)22)16-10-5-7-17(8-6-10)15(20)11-2-1-9-23-11/h1-4,9-10H,5-8H2,(H,16,19)
InChIKeyVJGHYLLKIBMARB-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.28
Rot. Bonds4

About N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide

N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide (PubChem CID 16613614) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide
PubChem CID16613614
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C15H15N3O5S/c19-14(12-3-4-13(24-12)18(21)22)16-10-5-7-17(8-6-10)15(20)11-2-1-9-23-11/h1-4,9-10H,5-8H2,(H,16,19)
InChIKeyVJGHYLLKIBMARB-UHFFFAOYSA-N
XLogP2.28
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.28
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'}

Analyze N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 60513827
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dinitrobenzamide
CID 134000280
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-nitrophenyl)acetamide
CID 16606697
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
N-(4-methylcyclohexyl)-5-nitrothiophene-2-carboxamide
CID 17403471
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
methyl 4-[(5-nitrothiophene-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617239
ethyl 3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]-5-nitrobenzoate
CID 16962526
furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 18144589
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18149413
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide (CID 16613614) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide is O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide?
The InChIKey is VJGHYLLKIBMARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c19-14(12-3-4-13(24-12)18(21)22)16-10-5-7-17(8-6-10)15(20)11-2-1-9-23-11/h1-4,9-10H,5-8H2,(H,16,19).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 16613614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).