N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide

C20H26N2O3 — CID 2999864

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C20H26N2O3/c23-20(11-15-24-17-8-3-1-4-9-17)21-16-18(19-10-7-14-25-19)22-12-5-2-6-13-22/h1,3-4,7-10,14,18H,2,5-6,11-13,15-16H2,(H,21,23)
InChIKeyAGUCZZWRELKSSK-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.39
Rot. Bonds8

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide (PubChem CID 2999864) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide
PubChem CID2999864
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C20H26N2O3/c23-20(11-15-24-17-8-3-1-4-9-17)21-16-18(19-10-7-14-25-19)22-12-5-2-6-13-22/h1,3-4,7-10,14,18H,2,5-6,11-13,15-16H2,(H,21,23)
InChIKeyAGUCZZWRELKSSK-UHFFFAOYSA-N
XLogP3.39
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide (CID 2999864) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide?
The InChIKey is AGUCZZWRELKSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-20(11-15-24-17-8-3-1-4-9-17)21-16-18(19-10-7-14-25-19)22-12-5-2-6-13-22/h1,3-4,7-10,14,18H,2,5-6,11-13,15-16H2,(H,21,23).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide has a molecular weight of 342.44 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenoxypropanamide is sourced from PubChem (CID 2999864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).