5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid

C16H23N3O5 — CID 119226798

IUPAC5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1C(=O)O
InChIInChI=1S/C16H23N3O5/c1-10-13(15(21)22)8-12(24-10)9-17-14(20)11-4-6-19(7-5-11)16(23)18(2)3/h8,11H,4-7,9H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyOODIJGPTZCHEDO-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.30
Rot. Bonds4

About 5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119226798) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119226798
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1C(=O)O
InChIInChI=1S/C16H23N3O5/c1-10-13(15(21)22)8-12(24-10)9-17-14(20)11-4-6-19(7-5-11)16(23)18(2)3/h8,11H,4-7,9H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyOODIJGPTZCHEDO-UHFFFAOYSA-N
XLogP1.30
TPSA103.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226417
2-methyl-5-[[(4-methylazepane-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 63625298
2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 120523930
1-N,1-N-dimethyl-4-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 91839718
2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid
CID 61203496
2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 119226741
2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid
CID 61428919
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 43586208
5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61480904
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 102865441

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid (CID 119226798) is 5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1C(=O)O.
What is the InChIKey of 5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is OODIJGPTZCHEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-10-13(15(21)22)8-12(24-10)9-17-14(20)11-4-6-19(7-5-11)16(23)18(2)3/h8,11H,4-7,9H2,1-3H3,(H,17,20)(H,21,22).
What are the key properties of 5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119226798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).