1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid

C15H28N2O3 — CID 63126933

IUPAC1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(=O)NCC(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-4-5-15(14(19)20)6-8-17(9-7-15)11-13(18)16-10-12(2)3/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyFYNUOUQJHWBTKJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.73
Rot. Bonds7

About 1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid

1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 63126933) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID63126933
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(=O)NCC(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-4-5-15(14(19)20)6-8-17(9-7-15)11-13(18)16-10-12(2)3/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyFYNUOUQJHWBTKJ-UHFFFAOYSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-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

1-[2-oxo-2-(propylamino)ethyl]-4-propylpiperidine-4-carboxylic acid
CID 63126994
1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid
CID 63126976
2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 113363017
1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid
CID 63126829
1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140844
4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 64566328
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63125470
1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63126073
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 78930704
1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65064765

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid (CID 63126933) is 1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(CC(=O)NCC(C)C)CC1.
What is the InChIKey of 1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is FYNUOUQJHWBTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-5-15(14(19)20)6-8-17(9-7-15)11-13(18)16-10-12(2)3/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid?
1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).