2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide

C30H30N2O2 — CID 69334504

IUPAC2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide
SMILESNC(=O)C(CC1CCN(c2ccc(-c3ccccc3)o2)CC1c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30N2O2/c31-30(33)26(22-10-4-1-5-11-22)20-25-18-19-32(21-27(25)23-12-6-2-7-13-23)29-17-16-28(34-29)24-14-8-3-9-15-24/h1-17,25-27H,18-21H2,(H2,31,33)
InChIKeyWCBYETIKAOOLQE-UHFFFAOYSA-N
MW450.58 g/mol
LogP6.22
Rot. Bonds7

About 2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide

2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide (PubChem CID 69334504) has the molecular formula C30H30N2O2 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide
PubChem CID69334504
Molecular FormulaC30H30N2O2
Molecular Weight450.58 g/mol
Exact Mass450.23
IUPAC Name2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide
SMILESNC(=O)C(CC1CCN(c2ccc(-c3ccccc3)o2)CC1c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30N2O2/c31-30(33)26(22-10-4-1-5-11-22)20-25-18-19-32(21-27(25)23-12-6-2-7-13-23)29-17-16-28(34-29)24-14-8-3-9-15-24/h1-17,25-27H,18-21H2,(H2,31,33)
InChIKeyWCBYETIKAOOLQE-UHFFFAOYSA-N
XLogP6.22
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide (CID 69334504) is 2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide is NC(=O)C(CC1CCN(c2ccc(-c3ccccc3)o2)CC1c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide?
The InChIKey is WCBYETIKAOOLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O2/c31-30(33)26(22-10-4-1-5-11-22)20-25-18-19-32(21-27(25)23-12-6-2-7-13-23)29-17-16-28(34-29)24-14-8-3-9-15-24/h1-17,25-27H,18-21H2,(H2,31,33).
What are the key properties of 2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide?
2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide has a molecular weight of 450.58 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 69334504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).