5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide

C26H28N2O3 — CID 18119096

IUPAC5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCc3ccccc3CN3CCCCC3)o2)cc1
InChIInChI=1S/C26H28N2O3/c1-19(29)20-9-11-21(12-10-20)24-13-14-25(31-24)26(30)27-17-22-7-3-4-8-23(22)18-28-15-5-2-6-16-28/h3-4,7-14H,2,5-6,15-18H2,1H3,(H,27,30)
InChIKeyWGVXERHXRIDOEE-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.07
Rot. Bonds7

About 5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide

5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 18119096) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID18119096
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCc3ccccc3CN3CCCCC3)o2)cc1
InChIInChI=1S/C26H28N2O3/c1-19(29)20-9-11-21(12-10-20)24-13-14-25(31-24)26(30)27-17-22-7-3-4-8-23(22)18-28-15-5-2-6-16-28/h3-4,7-14H,2,5-6,15-18H2,1H3,(H,27,30)
InChIKeyWGVXERHXRIDOEE-UHFFFAOYSA-N
XLogP5.07
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42907270
4-(methylsulfonylmethyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8969533
5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide
CID 17460136
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24607379
4-(ethylsulfanylmethyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 55873848
5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145659
5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide
CID 16601981
2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide
CID 16603865
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142470
6-methoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24532714
4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8968920

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide (CID 18119096) is 5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccccc3CN3CCCCC3)o2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is WGVXERHXRIDOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19(29)20-9-11-21(12-10-20)24-13-14-25(31-24)26(30)27-17-22-7-3-4-8-23(22)18-28-15-5-2-6-16-28/h3-4,7-14H,2,5-6,15-18H2,1H3,(H,27,30).
What are the key properties of 5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 18119096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).