2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid

C16H28N2O3 — CID 104598177

IUPAC2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCCCC1CCN(C(=O)N2CCCCC2(C)C(=O)O)CC1
InChIInChI=1S/C16H28N2O3/c1-3-6-13-7-11-17(12-8-13)15(21)18-10-5-4-9-16(18,2)14(19)20/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyPBDAXQVVCFLZOG-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.95
Rot. Bonds3

About 2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid

2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid (PubChem CID 104598177) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
PubChem CID104598177
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCCCC1CCN(C(=O)N2CCCCC2(C)C(=O)O)CC1
InChIInChI=1S/C16H28N2O3/c1-3-6-13-7-11-17(12-8-13)15(21)18-10-5-4-9-16(18,2)14(19)20/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyPBDAXQVVCFLZOG-UHFFFAOYSA-N
XLogP2.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(4-propylpiperidine-1-carbonyl)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

2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid
CID 104598443
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106836777
2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid
CID 104597977
1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 106670570
1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55050179
1-(2,6-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597846
1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 114679570
1-(4-propylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 55151760
1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104594792
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone
CID 116657830
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid (CID 104598177) is 2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid is CCCC1CCN(C(=O)N2CCCCC2(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is PBDAXQVVCFLZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-6-13-7-11-17(12-8-13)15(21)18-10-5-4-9-16(18,2)14(19)20/h13H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104598177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).