furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone

C16H24N2O2 — CID 764347

IUPACfuran-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone
SMILESC[C@@H]1CCC[C@@H](N2CCN(C(=O)c3ccco3)CC2)C1
InChIInChI=1S/C16H24N2O2/c1-13-4-2-5-14(12-13)17-7-9-18(10-8-17)16(19)15-6-3-11-20-15/h3,6,11,13-14H,2,4-5,7-10,12H2,1H3/t13-,14-/m1/s1
InChIKeyVIVZJZMYIFYJPB-ZIAGYGMSSA-N
MW276.38 g/mol
LogP2.62
Rot. Bonds2

About furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone (PubChem CID 764347) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone
PubChem CID764347
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namefuran-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone
SMILESC[C@@H]1CCC[C@@H](N2CCN(C(=O)c3ccco3)CC2)C1
InChIInChI=1S/C16H24N2O2/c1-13-4-2-5-14(12-13)17-7-9-18(10-8-17)16(19)15-6-3-11-20-15/h3,6,11,13-14H,2,4-5,7-10,12H2,1H3/t13-,14-/m1/s1
InChIKeyVIVZJZMYIFYJPB-ZIAGYGMSSA-N
XLogP2.62
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

furan-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone
CID 6939767
(2,6-dimethoxyphenyl)-[4-(3-methylcyclohexyl)piperazin-1-yl]methanone
CID 3150586
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone;oxalic acid
CID 17366301
[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 7026554
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one
CID 47131799
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7262090
furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone (CID 764347) is furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone is C[C@@H]1CCC[C@@H](N2CCN(C(=O)c3ccco3)CC2)C1.
What is the InChIKey of furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone?
The InChIKey is VIVZJZMYIFYJPB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-4-2-5-14(12-13)17-7-9-18(10-8-17)16(19)15-6-3-11-20-15/h3,6,11,13-14H,2,4-5,7-10,12H2,1H3/t13-,14-/m1/s1.
What are the key properties of furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone is sourced from PubChem (CID 764347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).