5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid

C19H28N2O5 — CID 120821755

IUPAC5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCCC(CNC(=O)C(C)(C)C)C2)cc1C(=O)O
InChIInChI=1S/C19H28N2O5/c1-5-14-13(17(23)24)9-15(26-14)16(22)21-8-6-7-12(11-21)10-20-18(25)19(2,3)4/h9,12H,5-8,10-11H2,1-4H3,(H,20,25)(H,23,24)
InChIKeyDAVWGXMLFZRSAN-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.55
Rot. Bonds5

About 5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid

5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120821755) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120821755
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCCC(CNC(=O)C(C)(C)C)C2)cc1C(=O)O
InChIInChI=1S/C19H28N2O5/c1-5-14-13(17(23)24)9-15(26-14)16(22)21-8-6-7-12(11-21)10-20-18(25)19(2,3)4/h9,12H,5-8,10-11H2,1-4H3,(H,20,25)(H,23,24)
InChIKeyDAVWGXMLFZRSAN-UHFFFAOYSA-N
XLogP2.55
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-5-(4-ethylazepane-1-carbonyl)furan-3-carboxylic acid
CID 120822394
5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821560
5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821552
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
5-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821324
6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119184579
2,2-dimethyl-N-[[1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-3-yl]methyl]propanamide
CID 102558752
2,2-dimethyl-N-[[(3S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-3-yl]methyl]propanamide
CID 99813188
(3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 96532461
5-(2,6-dimethylazepane-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120821924
N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 119779313
2,2-dimethyl-N-[[(3R)-1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]methyl]propanamide
CID 95334060

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid (CID 120821755) is 5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)N2CCCC(CNC(=O)C(C)(C)C)C2)cc1C(=O)O.
What is the InChIKey of 5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is DAVWGXMLFZRSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-5-14-13(17(23)24)9-15(26-14)16(22)21-8-6-7-12(11-21)10-20-18(25)19(2,3)4/h9,12H,5-8,10-11H2,1-4H3,(H,20,25)(H,23,24).
What are the key properties of 5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 364.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120821755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).