N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide

C23H22N2O4 — CID 46585539

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H22N2O4/c26-22(19-9-4-5-10-20(19)29-18-7-2-1-3-8-18)24-17-12-14-25(15-13-17)23(27)21-11-6-16-28-21/h1-11,16-17H,12-15H2,(H,24,26)
InChIKeyJXSOCPRPKYPPBG-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.11
Rot. Bonds5

About N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide

N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide (PubChem CID 46585539) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide
PubChem CID46585539
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H22N2O4/c26-22(19-9-4-5-10-20(19)29-18-7-2-1-3-8-18)24-17-12-14-25(15-13-17)23(27)21-11-6-16-28-21/h1-11,16-17H,12-15H2,(H,24,26)
InChIKeyJXSOCPRPKYPPBG-UHFFFAOYSA-N
XLogP4.11
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide (CID 46585539) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide is O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide?
The InChIKey is JXSOCPRPKYPPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-22(19-9-4-5-10-20(19)29-18-7-2-1-3-8-18)24-17-12-14-25(15-13-17)23(27)21-11-6-16-28-21/h1-11,16-17H,12-15H2,(H,24,26).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide has a molecular weight of 390.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide is sourced from PubChem (CID 46585539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).