[4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone

C23H24N2O3 — CID 41430741

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3occc3COc3ccccc3)CC2)c1
InChIInChI=1S/C23H24N2O3/c1-18-6-5-7-20(16-18)24-11-13-25(14-12-24)23(26)22-19(10-15-27-22)17-28-21-8-3-2-4-9-21/h2-10,15-16H,11-14,17H2,1H3
InChIKeySMRHCVPDXQRABT-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.13
Rot. Bonds5

About [4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone

[4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone (PubChem CID 41430741) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
PubChem CID41430741
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3occc3COc3ccccc3)CC2)c1
InChIInChI=1S/C23H24N2O3/c1-18-6-5-7-20(16-18)24-11-13-25(14-12-24)23(26)22-19(10-15-27-22)17-28-21-8-3-2-4-9-21/h2-10,15-16H,11-14,17H2,1H3
InChIKeySMRHCVPDXQRABT-UHFFFAOYSA-N
XLogP4.13
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone with MolForge

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Related Compounds

(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 51305572
[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 38012980
(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 110883944
[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 56779877
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 38575552
[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30832889
1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355008
1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 29439907
4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one
CID 35795456
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 43461716
2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41162791

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone (CID 41430741) is [4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone is Cc1cccc(N2CCN(C(=O)c3occc3COc3ccccc3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone?
The InChIKey is SMRHCVPDXQRABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-18-6-5-7-20(16-18)24-11-13-25(14-12-24)23(26)22-19(10-15-27-22)17-28-21-8-3-2-4-9-21/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone?
[4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 41430741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).