(5-methylfuran-2-yl)-piperidin-3-ylmethanone

C11H15NO2 — CID 116916948

IUPAC(5-methylfuran-2-yl)-piperidin-3-ylmethanone
SMILESCc1ccc(C(=O)C2CCCNC2)o1
InChIInChI=1S/C11H15NO2/c1-8-4-5-10(14-8)11(13)9-3-2-6-12-7-9/h4-5,9,12H,2-3,6-7H2,1H3
InChIKeyMCHGDXUCVGTQCN-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.77
Rot. Bonds2

About (5-methylfuran-2-yl)-piperidin-3-ylmethanone

(5-methylfuran-2-yl)-piperidin-3-ylmethanone (PubChem CID 116916948) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-piperidin-3-ylmethanone
PubChem CID116916948
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(5-methylfuran-2-yl)-piperidin-3-ylmethanone
SMILESCc1ccc(C(=O)C2CCCNC2)o1
InChIInChI=1S/C11H15NO2/c1-8-4-5-10(14-8)11(13)9-3-2-6-12-7-9/h4-5,9,12H,2-3,6-7H2,1H3
InChIKeyMCHGDXUCVGTQCN-UHFFFAOYSA-N
XLogP1.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-piperidin-3-ylfuran-2-carboxamide
CID 43603726
N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 43703387
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 54872044
furan-3-yl(piperidin-3-yl)methanone
CID 116548121
(1,1-dioxothiolan-3-yl)-(5-methylfuran-2-yl)methanone
CID 64913805
3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one
CID 82289357
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
CID 82341467
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
CID 154891669
piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 82494175
(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
CID 82553697

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-piperidin-3-ylmethanone?
The IUPAC name of (5-methylfuran-2-yl)-piperidin-3-ylmethanone (CID 116916948) is (5-methylfuran-2-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (5-methylfuran-2-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (5-methylfuran-2-yl)-piperidin-3-ylmethanone is Cc1ccc(C(=O)C2CCCNC2)o1.
What is the InChIKey of (5-methylfuran-2-yl)-piperidin-3-ylmethanone?
The InChIKey is MCHGDXUCVGTQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-4-5-10(14-8)11(13)9-3-2-6-12-7-9/h4-5,9,12H,2-3,6-7H2,1H3.
What are the key properties of (5-methylfuran-2-yl)-piperidin-3-ylmethanone?
(5-methylfuran-2-yl)-piperidin-3-ylmethanone has a molecular weight of 193.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 116916948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).