1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide

C15H18N2O4S — CID 17081696

IUPAC1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCSC1=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H18N2O4S/c18-13(16-11-5-9-22-15(11)20)10-3-6-17(7-4-10)14(19)12-2-1-8-21-12/h1-2,8,10-11H,3-7,9H2,(H,16,18)
InChIKeyQHAFBXDAZPMZRZ-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.28
Rot. Bonds3

About 1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide (PubChem CID 17081696) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide
PubChem CID17081696
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCSC1=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H18N2O4S/c18-13(16-11-5-9-22-15(11)20)10-3-6-17(7-4-10)14(19)12-2-1-8-21-12/h1-2,8,10-11H,3-7,9H2,(H,16,18)
InChIKeyQHAFBXDAZPMZRZ-UHFFFAOYSA-N
XLogP1.28
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-carbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 17447551
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 35240590
N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide
CID 702120
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 37019192
1-(furan-2-carbonyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 18153582
N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 41375524
1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17081680
1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27831080
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide (CID 17081696) is 1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide is O=C(NC1CCSC1=O)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide?
The InChIKey is QHAFBXDAZPMZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c18-13(16-11-5-9-22-15(11)20)10-3-6-17(7-4-10)14(19)12-2-1-8-21-12/h1-2,8,10-11H,3-7,9H2,(H,16,18).
What are the key properties of 1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 17081696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).