3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide

C20H26N2O3 — CID 26329076

IUPAC3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
SMILESO=C(CCC1CCN(Cc2ccc(CO)o2)CC1)Nc1ccccc1
InChIInChI=1S/C20H26N2O3/c23-15-19-8-7-18(25-19)14-22-12-10-16(11-13-22)6-9-20(24)21-17-4-2-1-3-5-17/h1-5,7-8,16,23H,6,9-15H2,(H,21,24)
InChIKeyHKJHZKOUANGIIH-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.40
Rot. Bonds7

About 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide

3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 26329076) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID26329076
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
SMILESO=C(CCC1CCN(Cc2ccc(CO)o2)CC1)Nc1ccccc1
InChIInChI=1S/C20H26N2O3/c23-15-19-8-7-18(25-19)14-22-12-10-16(11-13-22)6-9-20(24)21-17-4-2-1-3-5-17/h1-5,7-8,16,23H,6,9-15H2,(H,21,24)
InChIKeyHKJHZKOUANGIIH-UHFFFAOYSA-N
XLogP3.40
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide (CID 26329076) is 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide is O=C(CCC1CCN(Cc2ccc(CO)o2)CC1)Nc1ccccc1.
What is the InChIKey of 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is HKJHZKOUANGIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-15-19-8-7-18(25-19)14-22-12-10-16(11-13-22)6-9-20(24)21-17-4-2-1-3-5-17/h1-5,7-8,16,23H,6,9-15H2,(H,21,24).
What are the key properties of 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 26329076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).