1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid

C14H19NO4 — CID 91644859

IUPAC1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(CCC(=O)N2CCCCC2C(=O)O)o1
InChIInChI=1S/C14H19NO4/c1-10-5-6-11(19-10)7-8-13(16)15-9-3-2-4-12(15)14(17)18/h5-6,12H,2-4,7-9H2,1H3,(H,17,18)
InChIKeySTNBSWJVJIQWBQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.99
Rot. Bonds4

About 1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid

1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid (PubChem CID 91644859) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid
PubChem CID91644859
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(CCC(=O)N2CCCCC2C(=O)O)o1
InChIInChI=1S/C14H19NO4/c1-10-5-6-11(19-10)7-8-13(16)15-9-3-2-4-12(15)14(17)18/h5-6,12H,2-4,7-9H2,1H3,(H,17,18)
InChIKeySTNBSWJVJIQWBQ-UHFFFAOYSA-N
XLogP1.99
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 119167644
1-[3-(1-benzofuran-2-yl)propanoyl]piperidine-2-carboxylic acid
CID 126771835
1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197519
(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035326
1-[3-(3-methylphenyl)propanoyl]azepane-2-carboxylic acid
CID 64559157
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 110835597
(2R)-1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidine-2-carboxylic acid
CID 75499802
1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid
CID 119176003
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 124811218
(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
CID 124683442
(2S)-1-[3-(2,6-difluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99623401

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid (CID 91644859) is 1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid is Cc1ccc(CCC(=O)N2CCCCC2C(=O)O)o1.
What is the InChIKey of 1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is STNBSWJVJIQWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-5-6-11(19-10)7-8-13(16)15-9-3-2-4-12(15)14(17)18/h5-6,12H,2-4,7-9H2,1H3,(H,17,18).
What are the key properties of 1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid?
1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 91644859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).