N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

C19H28N2O4 — CID 110015949

IUPACN-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCCc1ccc(C2CCCCN2C(=O)C(NC(=O)C2CC2)C(C)O)o1
InChIInChI=1S/C19H28N2O4/c1-3-14-9-10-16(25-14)15-6-4-5-11-21(15)19(24)17(12(2)22)20-18(23)13-7-8-13/h9-10,12-13,15,17,22H,3-8,11H2,1-2H3,(H,20,23)
InChIKeyYBSYREVYQGNVKJ-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.17
Rot. Bonds6

About N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110015949) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID110015949
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCCc1ccc(C2CCCCN2C(=O)C(NC(=O)C2CC2)C(C)O)o1
InChIInChI=1S/C19H28N2O4/c1-3-14-9-10-16(25-14)15-6-4-5-11-21(15)19(24)17(12(2)22)20-18(23)13-7-8-13/h9-10,12-13,15,17,22H,3-8,11H2,1-2H3,(H,20,23)
InChIKeyYBSYREVYQGNVKJ-UHFFFAOYSA-N
XLogP2.17
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110015949) is N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is CCc1ccc(C2CCCCN2C(=O)C(NC(=O)C2CC2)C(C)O)o1.
What is the InChIKey of N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is YBSYREVYQGNVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-3-14-9-10-16(25-14)15-6-4-5-11-21(15)19(24)17(12(2)22)20-18(23)13-7-8-13/h9-10,12-13,15,17,22H,3-8,11H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 348.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110015949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).