4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide

C28H33N3O3 — CID 34941214

IUPAC4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(CC(=O)N2CCC(Cc3ccccc3)CC2)Cc2ccco2)cc1
InChIInChI=1S/C28H33N3O3/c1-29-28(33)25-11-9-24(10-12-25)19-30(20-26-8-5-17-34-26)21-27(32)31-15-13-23(14-16-31)18-22-6-3-2-4-7-22/h2-12,17,23H,13-16,18-21H2,1H3,(H,29,33)
InChIKeyJGFUMKAOXJRZLI-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.12
Rot. Bonds9

About 4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide

4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide (PubChem CID 34941214) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
PubChem CID34941214
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(CC(=O)N2CCC(Cc3ccccc3)CC2)Cc2ccco2)cc1
InChIInChI=1S/C28H33N3O3/c1-29-28(33)25-11-9-24(10-12-25)19-30(20-26-8-5-17-34-26)21-27(32)31-15-13-23(14-16-31)18-22-6-3-2-4-7-22/h2-12,17,23H,13-16,18-21H2,1H3,(H,29,33)
InChIKeyJGFUMKAOXJRZLI-UHFFFAOYSA-N
XLogP4.12
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 30798139
ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate
CID 34215828
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 4883752
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide
CID 42703534
4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide
CID 30869878
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide
CID 34216601
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide
CID 34216526
N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46546153
4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide
CID 42947752
1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone
CID 119374335
4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 86936719
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide (CID 34941214) is 4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(CC(=O)N2CCC(Cc3ccccc3)CC2)Cc2ccco2)cc1.
What is the InChIKey of 4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
The InChIKey is JGFUMKAOXJRZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-29-28(33)25-11-9-24(10-12-25)19-30(20-26-8-5-17-34-26)21-27(32)31-15-13-23(14-16-31)18-22-6-3-2-4-7-22/h2-12,17,23H,13-16,18-21H2,1H3,(H,29,33).
What are the key properties of 4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide has a molecular weight of 459.59 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 34941214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).