1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide

C26H30N2O3 — CID 24794308

IUPAC1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
SMILESCCc1ccc(CN2CCCC(C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)o1
InChIInChI=1S/C26H30N2O3/c1-3-21-14-15-23(31-21)18-28-16-6-7-20(17-28)26(29)27-25-9-5-4-8-24(25)19-10-12-22(30-2)13-11-19/h4-5,8-15,20H,3,6-7,16-18H2,1-2H3,(H,27,29)
InChIKeyJLSFGMMYORWMNL-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.37
Rot. Bonds7

About 1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide

1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide (PubChem CID 24794308) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
PubChem CID24794308
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
SMILESCCc1ccc(CN2CCCC(C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)o1
InChIInChI=1S/C26H30N2O3/c1-3-21-14-15-23(31-21)18-28-16-6-7-20(17-28)26(29)27-25-9-5-4-8-24(25)19-10-12-22(30-2)13-11-19/h4-5,8-15,20H,3,6-7,16-18H2,1-2H3,(H,27,29)
InChIKeyJLSFGMMYORWMNL-UHFFFAOYSA-N
XLogP5.37
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide (CID 24794308) is 1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide is CCc1ccc(CN2CCCC(C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)o1.
What is the InChIKey of 1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide?
The InChIKey is JLSFGMMYORWMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-3-21-14-15-23(31-21)18-28-16-6-7-20(17-28)26(29)27-25-9-5-4-8-24(25)19-10-12-22(30-2)13-11-19/h4-5,8-15,20H,3,6-7,16-18H2,1-2H3,(H,27,29).
What are the key properties of 1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide?
1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylfuran-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 24794308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).