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

C16H25N2O2+ — CID 6939767

IUPACfuran-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone
SMILESC[C@@H]1CCC[C@H]([NH+]2CCN(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/p+1/t13-,14+/m1/s1
InChIKeyVIVZJZMYIFYJPB-KGLIPLIRSA-O
MW277.39 g/mol
LogP1.20
Rot. Bonds2

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

furan-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone (PubChem CID 6939767) has the molecular formula C16H25N2O2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is furan-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone
PubChem CID6939767
Molecular FormulaC16H25N2O2+
Molecular Weight277.39 g/mol
Exact Mass277.19
IUPAC Namefuran-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone
SMILESC[C@@H]1CCC[C@H]([NH+]2CCN(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/p+1/t13-,14+/m1/s1
InChIKeyVIVZJZMYIFYJPB-KGLIPLIRSA-O
XLogP1.20
TPSA37.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone
CID 764347
[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone
CID 6944868
(2,6-dimethoxyphenyl)-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone
CID 6937136
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 6963372
azepan-1-yl(furan-2-yl)methanone
CID 5200992
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
(3S)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-3H-2-benzofuran-1-one
CID 6937011
(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9431911
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone (CID 6939767) is furan-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone is C[C@@H]1CCC[C@H]([NH+]2CCN(C(=O)c3ccco3)CC2)C1.
What is the InChIKey of furan-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone?
The InChIKey is VIVZJZMYIFYJPB-KGLIPLIRSA-O. 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/p+1/t13-,14+/m1/s1.
What are the key properties of furan-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone?
furan-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone has a molecular weight of 277.39 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone is sourced from PubChem (CID 6939767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).