4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid

C15H28N2O3 — CID 63126538

IUPAC4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCCC(C)N(C)C(=O)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-5-7-12(3)16(4)14(20)17-10-8-15(6-2,9-11-17)13(18)19/h12H,5-11H2,1-4H3,(H,18,19)
InChIKeyYSQJQCOQFPTCHJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.80
Rot. Bonds5

About 4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid

4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 63126538) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID63126538
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCCC(C)N(C)C(=O)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-5-7-12(3)16(4)14(20)17-10-8-15(6-2,9-11-17)13(18)19/h12H,5-11H2,1-4H3,(H,18,19)
InChIKeyYSQJQCOQFPTCHJ-UHFFFAOYSA-N
XLogP2.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-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

4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid
CID 63127367
4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid
CID 63126221
2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311696
4-ethylazepane-1,4-dicarboxylic acid
CID 123426716
1-[(2R)-2-amino-4-methylpentanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 104903454
4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106232577
1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126944
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 63548476
3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63149326
1-[2-(aminomethyl)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 65228007
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 63126334

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid (CID 63126538) is 4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid is CCCC(C)N(C)C(=O)N1CCC(CC)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is YSQJQCOQFPTCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-7-12(3)16(4)14(20)17-10-8-15(6-2,9-11-17)13(18)19/h12H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid?
4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63126538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).