[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone

C12H17NO2 — CID 669413

IUPAC[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)c2ccco2)C1
InChIInChI=1S/C12H17NO2/c1-9-6-10(2)8-13(7-9)12(14)11-4-3-5-15-11/h3-5,9-10H,6-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyBAIZGXIYKGQGAN-NXEZZACHSA-N
MW207.27 g/mol
LogP2.40
Rot. Bonds1

About [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 669413) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
PubChem CID669413
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)c2ccco2)C1
InChIInChI=1S/C12H17NO2/c1-9-6-10(2)8-13(7-9)12(14)11-4-3-5-15-11/h3-5,9-10H,6-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyBAIZGXIYKGQGAN-NXEZZACHSA-N
XLogP2.40
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227
(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone
CID 110602243
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
(4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone
CID 114683288
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone
CID 764347
2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605217
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 102937304

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone (CID 669413) is [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone is C[C@@H]1C[C@@H](C)CN(C(=O)c2ccco2)C1.
What is the InChIKey of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is BAIZGXIYKGQGAN-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-6-10(2)8-13(7-9)12(14)11-4-3-5-15-11/h3-5,9-10H,6-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone?
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 207.27 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 669413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).