[(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

C20H32N2O4 — CID 95896526

IUPAC[(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCN(CC3CCCCC3)[C@H](CCO)C2)o1
InChIInChI=1S/C20H32N2O4/c1-25-15-18-7-8-19(26-18)20(24)22-11-10-21(17(14-22)9-12-23)13-16-5-3-2-4-6-16/h7-8,16-17,23H,2-6,9-15H2,1H3/t17-/m1/s1
InChIKeyWFFQUEKQWPXTOI-QGZVFWFLSA-N
MW364.49 g/mol
LogP2.52
Rot. Bonds7

About [(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

[(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 95896526) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is [(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID95896526
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name[(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCN(CC3CCCCC3)[C@H](CCO)C2)o1
InChIInChI=1S/C20H32N2O4/c1-25-15-18-7-8-19(26-18)20(24)22-11-10-21(17(14-22)9-12-23)13-16-5-3-2-4-6-16/h7-8,16-17,23H,2-6,9-15H2,1H3/t17-/m1/s1
InChIKeyWFFQUEKQWPXTOI-QGZVFWFLSA-N
XLogP2.52
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone with MolForge

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Related Compounds

[5-(methoxymethyl)furan-2-yl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 26333907
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 95564079
[5-(methoxymethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488456
[5-(methoxymethyl)furan-2-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78882361
[(3S,4R)-4-(dimethylamino)-3-(3-hydroxypropyl)piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 133120193
[5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 96580607
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(methoxymethyl)furan-2-yl]methanone
CID 119635590
ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 78833666
[5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 72871979
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 24817677
1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 78852997
2-[1-cyclopentyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 45252016

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of [(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (CID 95896526) is [(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)N2CCN(CC3CCCCC3)[C@H](CCO)C2)o1.
What is the InChIKey of [(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is WFFQUEKQWPXTOI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-25-15-18-7-8-19(26-18)20(24)22-11-10-21(17(14-22)9-12-23)13-16-5-3-2-4-6-16/h7-8,16-17,23H,2-6,9-15H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
[(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 364.49 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 95896526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).