3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one

C12H15NO3 — CID 114820820

IUPAC3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one
SMILESCc1cc(C(=O)N2CCC(=O)C(C)C2)co1
InChIInChI=1S/C12H15NO3/c1-8-6-13(4-3-11(8)14)12(15)10-5-9(2)16-7-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyKLVAYIHAIBJUMW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.64
Rot. Bonds1

About 3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one

3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one (PubChem CID 114820820) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one
PubChem CID114820820
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one
SMILESCc1cc(C(=O)N2CCC(=O)C(C)C2)co1
InChIInChI=1S/C12H15NO3/c1-8-6-13(4-3-11(8)14)12(15)10-5-9(2)16-7-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyKLVAYIHAIBJUMW-UHFFFAOYSA-N
XLogP1.64
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 114819005
3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one
CID 114499805
[3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114818395
1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one
CID 114499914
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(5-methylfuran-3-yl)methanone
CID 127981809
3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one
CID 166205934
1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one
CID 114499849
ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate
CID 34180905
(3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821779
1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one
CID 114499703
4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide
CID 114822701

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one (CID 114820820) is 3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one is Cc1cc(C(=O)N2CCC(=O)C(C)C2)co1.
What is the InChIKey of 3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one?
The InChIKey is KLVAYIHAIBJUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-6-13(4-3-11(8)14)12(15)10-5-9(2)16-7-10/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one?
3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one has a molecular weight of 221.26 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one is sourced from PubChem (CID 114820820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).