1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide

C17H17IN2O3 — CID 55573185

IUPAC1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H17IN2O3/c18-14-1-3-15(4-2-14)19-16(21)12-5-8-20(9-6-12)17(22)13-7-10-23-11-13/h1-4,7,10-12H,5-6,8-9H2,(H,19,21)
InChIKeyLRNQOBPXCBPONJ-UHFFFAOYSA-N
MW424.24 g/mol
LogP3.38
Rot. Bonds3

About 1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide

1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide (PubChem CID 55573185) has the molecular formula C17H17IN2O3 and a molecular weight of 424.24 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
PubChem CID55573185
Molecular FormulaC17H17IN2O3
Molecular Weight424.24 g/mol
Exact Mass424.03
IUPAC Name1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H17IN2O3/c18-14-1-3-15(4-2-14)19-16(21)12-5-8-20(9-6-12)17(22)13-7-10-23-11-13/h1-4,7,10-12H,5-6,8-9H2,(H,19,21)
InChIKeyLRNQOBPXCBPONJ-UHFFFAOYSA-N
XLogP3.38
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-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

1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 35706548
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 55567441
N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35505478
N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048458
1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide
CID 86872747
N-(2,5-dimethylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136576685
1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 126029057
N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35751439
N-(2-cyclohexylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048496
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide (CID 55573185) is 1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide is O=C(Nc1ccc(I)cc1)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide?
The InChIKey is LRNQOBPXCBPONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O3/c18-14-1-3-15(4-2-14)19-16(21)12-5-8-20(9-6-12)17(22)13-7-10-23-11-13/h1-4,7,10-12H,5-6,8-9H2,(H,19,21).
What are the key properties of 1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide?
1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide has a molecular weight of 424.24 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55573185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).