4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide

C25H28N2O2 — CID 23435896

IUPAC4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cc3ccccc3o2)cc1
InChIInChI=1S/C25H28N2O2/c1-3-27(4-2)25(28)20-11-9-18(10-12-20)24(19-13-15-26-16-14-19)23-17-21-7-5-6-8-22(21)29-23/h5-12,17,26H,3-4,13-16H2,1-2H3
InChIKeySUDNZHCMVDGDFA-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.10
Rot. Bonds5

About 4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide

4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide (PubChem CID 23435896) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide
PubChem CID23435896
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cc3ccccc3o2)cc1
InChIInChI=1S/C25H28N2O2/c1-3-27(4-2)25(28)20-11-9-18(10-12-20)24(19-13-15-26-16-14-19)23-17-21-7-5-6-8-22(21)29-23/h5-12,17,26H,3-4,13-16H2,1-2H3
InChIKeySUDNZHCMVDGDFA-UHFFFAOYSA-N
XLogP5.10
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide (CID 23435896) is 4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cc3ccccc3o2)cc1.
What is the InChIKey of 4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide?
The InChIKey is SUDNZHCMVDGDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-3-27(4-2)25(28)20-11-9-18(10-12-20)24(19-13-15-26-16-14-19)23-17-21-7-5-6-8-22(21)29-23/h5-12,17,26H,3-4,13-16H2,1-2H3.
What are the key properties of 4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide?
4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide has a molecular weight of 388.51 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 23435896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).