3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid

C15H28N2O3 — CID 83200067

IUPAC3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C15H28N2O3/c1-4-6-12(9-13(18)19)17-14(20)15(2,3)11-7-5-8-16-10-11/h11-12,16H,4-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyLLWNCJOEHJYQHY-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.77
Rot. Bonds7

About 3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid

3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid (PubChem CID 83200067) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid
PubChem CID83200067
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C15H28N2O3/c1-4-6-12(9-13(18)19)17-14(20)15(2,3)11-7-5-8-16-10-11/h11-12,16H,4-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyLLWNCJOEHJYQHY-UHFFFAOYSA-N
XLogP1.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic 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

(2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid
CID 107824520
2-cyclopropyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83198884
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031807
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
2-methyl-N-(2-methylbutan-2-yl)-2-piperidin-3-ylpropanamide
CID 83199732
2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid
CID 83199342
N-[(1R)-1-cycloheptylethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83198749
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
2-methyl-2-piperidin-3-yl-N-(4-propylcyclohexyl)propanamide
CID 83034570
2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198731
methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate
CID 83198704
5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one
CID 116611228

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid?
The IUPAC name of 3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid (CID 83200067) is 3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid.
What is the SMILES notation for 3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid?
The canonical SMILES for 3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid is CCCC(CC(=O)O)NC(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of 3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid?
The InChIKey is LLWNCJOEHJYQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-6-12(9-13(18)19)17-14(20)15(2,3)11-7-5-8-16-10-11/h11-12,16H,4-10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid?
3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid is sourced from PubChem (CID 83200067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).