1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone

C12H17NO2 — CID 79538933

IUPAC1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone
SMILESCc1ccc(C(=O)CC2CCCCN2)o1
InChIInChI=1S/C12H17NO2/c1-9-5-6-12(15-9)11(14)8-10-4-2-3-7-13-10/h5-6,10,13H,2-4,7-8H2,1H3
InChIKeyTYZLWSLXTSPIDE-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.30
Rot. Bonds3

About 1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone

1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone (PubChem CID 79538933) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone
PubChem CID79538933
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone
SMILESCc1ccc(C(=O)CC2CCCCN2)o1
InChIInChI=1S/C12H17NO2/c1-9-5-6-12(15-9)11(14)8-10-4-2-3-7-13-10/h5-6,10,13H,2-4,7-8H2,1H3
InChIKeyTYZLWSLXTSPIDE-UHFFFAOYSA-N
XLogP2.30
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone
CID 104653573
1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone
CID 129368395
5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]furan-2-carboxamide
CID 104972070
N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106608715
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623
1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 64570983
2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114239619
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
2-(azepan-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
CID 106758315
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365
1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone
CID 116917151
1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone
CID 114736387

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone?
The IUPAC name of 1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone (CID 79538933) is 1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone is Cc1ccc(C(=O)CC2CCCCN2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone?
The InChIKey is TYZLWSLXTSPIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-5-6-12(15-9)11(14)8-10-4-2-3-7-13-10/h5-6,10,13H,2-4,7-8H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone?
1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone has a molecular weight of 207.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone is sourced from PubChem (CID 79538933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).