1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone

C23H24N2O2 — CID 1131695

IUPAC1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C23H24N2O2/c26-23(25-15-13-24(14-16-25)18-21-12-7-17-27-21)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17,22H,13-16,18H2
InChIKeyKQVBYSASIQFYPY-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.76
Rot. Bonds5

About 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone

1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 1131695) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
PubChem CID1131695
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C23H24N2O2/c26-23(25-15-13-24(14-16-25)18-21-12-7-17-27-21)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17,22H,13-16,18H2
InChIKeyKQVBYSASIQFYPY-UHFFFAOYSA-N
XLogP3.76
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
(E)-4-[4-(furan-2-ylmethyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 54874934
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518
(2S)-2-amino-1-[4-(furan-2-ylmethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 61165609
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073906
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone;oxalic acid
CID 17384961
N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 46538728
2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 79810335

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone (CID 1131695) is 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is KQVBYSASIQFYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23(25-15-13-24(14-16-25)18-21-12-7-17-27-21)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17,22H,13-16,18H2.
What are the key properties of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone?
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 360.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 1131695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).