2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone

C23H32N4O2 — CID 146127331

IUPAC2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCN(Cc2ccco2)CC1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H32N4O2/c1-24(21-9-10-26(17-21)16-20-6-3-2-4-7-20)19-23(28)27-13-11-25(12-14-27)18-22-8-5-15-29-22/h2-8,15,21H,9-14,16-19H2,1H3
InChIKeyGIRXYPMTICMFED-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.13
Rot. Bonds7

About 2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone

2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 146127331) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID146127331
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCN(Cc2ccco2)CC1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H32N4O2/c1-24(21-9-10-26(17-21)16-20-6-3-2-4-7-20)19-23(28)27-13-11-25(12-14-27)18-22-8-5-15-29-22/h2-8,15,21H,9-14,16-19H2,1H3
InChIKeyGIRXYPMTICMFED-UHFFFAOYSA-N
XLogP2.13
TPSA43.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone
CID 56570110
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
N-(1-benzylpiperidin-4-yl)-N-cyclopropylfuran-2-carboxamide
CID 3256683
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 97188319
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione
CID 75394752
2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073906
1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone
CID 100785212

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone (CID 146127331) is 2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone is CN(CC(=O)N1CCN(Cc2ccco2)CC1)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is GIRXYPMTICMFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-24(21-9-10-26(17-21)16-20-6-3-2-4-7-20)19-23(28)27-13-11-25(12-14-27)18-22-8-5-15-29-22/h2-8,15,21H,9-14,16-19H2,1H3.
What are the key properties of 2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 396.54 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 146127331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).