2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one

C14H19NO3 — CID 115275864

IUPAC2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one
SMILESCc1ccc(CC(=O)N2CCCC(=O)C2(C)C)o1
InChIInChI=1S/C14H19NO3/c1-10-6-7-11(18-10)9-13(17)15-8-4-5-12(16)14(15,2)3/h6-7H,4-5,8-9H2,1-3H3
InChIKeyQRGXLIUEWNEBEI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.10
Rot. Bonds2

About 2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one

2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one (PubChem CID 115275864) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one
PubChem CID115275864
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one
SMILESCc1ccc(CC(=O)N2CCCC(=O)C2(C)C)o1
InChIInChI=1S/C14H19NO3/c1-10-6-7-11(18-10)9-13(17)15-8-4-5-12(16)14(15,2)3/h6-7H,4-5,8-9H2,1-3H3
InChIKeyQRGXLIUEWNEBEI-UHFFFAOYSA-N
XLogP2.10
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid
CID 115270705
2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one
CID 115275201
4,4-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one
CID 115276812
1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone
CID 115273139
1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one
CID 115269279
1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one
CID 115269266
1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone
CID 115277216
1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
CID 16762249
tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate
CID 97241578
1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
CID 81179940
2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one
CID 112533245
2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one
CID 115275193

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one?
The IUPAC name of 2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one (CID 115275864) is 2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one is Cc1ccc(CC(=O)N2CCCC(=O)C2(C)C)o1.
What is the InChIKey of 2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one?
The InChIKey is QRGXLIUEWNEBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-6-7-11(18-10)9-13(17)15-8-4-5-12(16)14(15,2)3/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one?
2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one has a molecular weight of 249.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one is sourced from PubChem (CID 115275864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).