5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid

C17H24N2O5 — CID 120821552

IUPAC5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
SMILESCCCC(=O)NC1CCCN(C(=O)c2cc(C(=O)O)c(CC)o2)C1
InChIInChI=1S/C17H24N2O5/c1-3-6-15(20)18-11-7-5-8-19(10-11)16(21)14-9-12(17(22)23)13(4-2)24-14/h9,11H,3-8,10H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyDLPWDXHJSGFLOJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.06
Rot. Bonds6

About 5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid

5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120821552) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120821552
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
SMILESCCCC(=O)NC1CCCN(C(=O)c2cc(C(=O)O)c(CC)o2)C1
InChIInChI=1S/C17H24N2O5/c1-3-6-15(20)18-11-7-5-8-19(10-11)16(21)14-9-12(17(22)23)13(4-2)24-14/h9,11H,3-8,10H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyDLPWDXHJSGFLOJ-UHFFFAOYSA-N
XLogP2.06
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821560
5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821755
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
2-ethyl-5-(4-ethylazepane-1-carbonyl)furan-3-carboxylic acid
CID 120822394
N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide
CID 119761707
N-[1-(2-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790
5-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821324
N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide
CID 119761681
N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide
CID 96529433
5-(2,6-dimethylazepane-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120821924
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride
CID 119310793
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride
CID 119761692

Frequently Asked Questions

What is the IUPAC name of 5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid (CID 120821552) is 5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid is CCCC(=O)NC1CCCN(C(=O)c2cc(C(=O)O)c(CC)o2)C1.
What is the InChIKey of 5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is DLPWDXHJSGFLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-3-6-15(20)18-11-7-5-8-19(10-11)16(21)14-9-12(17(22)23)13(4-2)24-14/h9,11H,3-8,10H2,1-2H3,(H,18,20)(H,22,23).
What are the key properties of 5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120821552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).