1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid

C12H15NO4 — CID 3150890

IUPAC1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
SMILESCc1ccoc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H15NO4/c1-8-5-7-17-10(8)11(14)13-6-3-2-4-9(13)12(15)16/h5,7,9H,2-4,6H2,1H3,(H,15,16)
InChIKeyFWOGBNQBGXLBMH-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.67
Rot. Bonds2

About 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid

1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 3150890) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID3150890
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
SMILESCc1ccoc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H15NO4/c1-8-5-7-17-10(8)11(14)13-6-3-2-4-9(13)12(15)16/h5,7,9H,2-4,6H2,1H3,(H,15,16)
InChIKeyFWOGBNQBGXLBMH-UHFFFAOYSA-N
XLogP1.67
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate
CID 78915855
[2-(hydroxymethyl)azepan-1-yl]-(3-methylfuran-2-yl)methanone
CID 116636174
(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
CID 106683530
3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24711279
(2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151938
(2S)-1-(3-methylfuran-2-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 95557246
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 97073184
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995
1-(2,3-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 16790921
1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 66334626
(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 120537508

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid (CID 3150890) is 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid is Cc1ccoc1C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is FWOGBNQBGXLBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8-5-7-17-10(8)11(14)13-6-3-2-4-9(13)12(15)16/h5,7,9H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid?
1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 3150890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).