5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide

C18H22N2O2 — CID 119388707

IUPAC5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide
SMILESCCc1ccc(-c2ccc(C(=O)NC3CCNCC3)o2)cc1
InChIInChI=1S/C18H22N2O2/c1-2-13-3-5-14(6-4-13)16-7-8-17(22-16)18(21)20-15-9-11-19-12-10-15/h3-8,15,19H,2,9-12H2,1H3,(H,20,21)
InChIKeyZFZXSZUHHJFJNX-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.99
Rot. Bonds4

About 5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide

5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide (PubChem CID 119388707) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide
PubChem CID119388707
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide
SMILESCCc1ccc(-c2ccc(C(=O)NC3CCNCC3)o2)cc1
InChIInChI=1S/C18H22N2O2/c1-2-13-3-5-14(6-4-13)16-7-8-17(22-16)18(21)20-15-9-11-19-12-10-15/h3-8,15,19H,2,9-12H2,1H3,(H,20,21)
InChIKeyZFZXSZUHHJFJNX-UHFFFAOYSA-N
XLogP2.99
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide?
The IUPAC name of 5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide (CID 119388707) is 5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide.
What is the SMILES notation for 5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide?
The canonical SMILES for 5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide is CCc1ccc(-c2ccc(C(=O)NC3CCNCC3)o2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide?
The InChIKey is ZFZXSZUHHJFJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-13-3-5-14(6-4-13)16-7-8-17(22-16)18(21)20-15-9-11-19-12-10-15/h3-8,15,19H,2,9-12H2,1H3,(H,20,21).
What are the key properties of 5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide?
5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 119388707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).