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

C15H22N2O4 — CID 107071464

IUPAC3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)N2CCCC(C)C2C(=O)O)o1
InChIInChI=1S/C15H22N2O4/c1-9-5-4-8-17(13(9)14(18)19)15(20)16-11(3)12-7-6-10(2)21-12/h6-7,9,11,13H,4-5,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyZBTDSLDTKFYVQR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.54
Rot. Bonds3

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

3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 107071464) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID107071464
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)N2CCCC(C)C2C(=O)O)o1
InChIInChI=1S/C15H22N2O4/c1-9-5-4-8-17(13(9)14(18)19)15(20)16-11(3)12-7-6-10(2)21-12/h6-7,9,11,13H,4-5,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyZBTDSLDTKFYVQR-UHFFFAOYSA-N
XLogP2.54
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-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

3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071187
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583196
3-methyl-1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 107069604
(2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51957994
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583197
3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid
CID 107071850
1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071884
3-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782082
1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071445
4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 95134239
3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071599
3-methyl-1-(pent-4-yn-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071880

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid (CID 107071464) is 3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid is Cc1ccc(C(C)NC(=O)N2CCCC(C)C2C(=O)O)o1.
What is the InChIKey of 3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is ZBTDSLDTKFYVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9-5-4-8-17(13(9)14(18)19)15(20)16-11(3)12-7-6-10(2)21-12/h6-7,9,11,13H,4-5,8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107071464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).