4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid

C15H28N2O3 — CID 63124499

IUPAC4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid
SMILESCCCCCNC(=O)C(C)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-4-5-6-9-16-13(18)12(2)17-10-7-15(3,8-11-17)14(19)20/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyJFPZTZNNKIOHGC-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.87
Rot. Bonds7

About 4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid

4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid (PubChem CID 63124499) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid
PubChem CID63124499
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid
SMILESCCCCCNC(=O)C(C)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-4-5-6-9-16-13(18)12(2)17-10-7-15(3,8-11-17)14(19)20/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyJFPZTZNNKIOHGC-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]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

2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide
CID 103728903
4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 63124532
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide
CID 107160660
N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103728829
N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide
CID 103993891
N-butyl-2-(4-oxopiperidin-1-yl)propanamide
CID 43112432
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124488
2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide
CID 63596247
3-methyl-1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63147805
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124464
3-[4-[1-(butylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid
CID 43522452
1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid (CID 63124499) is 4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid is CCCCCNC(=O)C(C)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is JFPZTZNNKIOHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-5-6-9-16-13(18)12(2)17-10-7-15(3,8-11-17)14(19)20/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid?
4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63124499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).