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

C15H19N3O4 — CID 110821316

IUPACN-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C1CCC(C(=O)N2CCC(NC(=O)c3ccco3)CC2)N1
InChIInChI=1S/C15H19N3O4/c19-13-4-3-11(17-13)15(21)18-7-5-10(6-8-18)16-14(20)12-2-1-9-22-12/h1-2,9-11H,3-8H2,(H,16,20)(H,17,19)
InChIKeyCJETVHUUUICYHJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.28
Rot. Bonds3

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

N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 110821316) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID110821316
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C1CCC(C(=O)N2CCC(NC(=O)c3ccco3)CC2)N1
InChIInChI=1S/C15H19N3O4/c19-13-4-3-11(17-13)15(21)18-7-5-10(6-8-18)16-14(20)12-2-1-9-22-12/h1-2,9-11H,3-8H2,(H,16,20)(H,17,19)
InChIKeyCJETVHUUUICYHJ-UHFFFAOYSA-N
XLogP0.28
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide (CID 110821316) is N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide is O=C1CCC(C(=O)N2CCC(NC(=O)c3ccco3)CC2)N1.
What is the InChIKey of N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is CJETVHUUUICYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-13-4-3-11(17-13)15(21)18-7-5-10(6-8-18)16-14(20)12-2-1-9-22-12/h1-2,9-11H,3-8H2,(H,16,20)(H,17,19).
What are the key properties of N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide?
N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 110821316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).