N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide

C19H20N2O4 — CID 38216371

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C19H20N2O4/c1-13-2-4-14(5-3-13)17(22)18(23)20-16-6-9-21(10-7-16)19(24)15-8-11-25-12-15/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,20,23)
InChIKeyXVFQRRXNWSDHHV-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.19
Rot. Bonds4

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide (PubChem CID 38216371) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
PubChem CID38216371
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C19H20N2O4/c1-13-2-4-14(5-3-13)17(22)18(23)20-16-6-9-21(10-7-16)19(24)15-8-11-25-12-15/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,20,23)
InChIKeyXVFQRRXNWSDHHV-UHFFFAOYSA-N
XLogP2.19
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
tert-butyl 4-[[2-(4-methylphenyl)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 51093785
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24660099
(1R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 30746655
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 30711914
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24660116
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180130
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
CID 38197318
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide (CID 38216371) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is XVFQRRXNWSDHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-2-4-14(5-3-13)17(22)18(23)20-16-6-9-21(10-7-16)19(24)15-8-11-25-12-15/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,20,23).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 340.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 38216371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).