1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid

C15H26N2O3 — CID 106191164

IUPAC1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)NCC=C(C)C)C1
InChIInChI=1S/C15H26N2O3/c1-4-7-15(13(18)19)8-5-10-17(11-15)14(20)16-9-6-12(2)3/h6H,4-5,7-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyNLCPFDLTKDJBKG-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.63
Rot. Bonds5

About 1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid

1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 106191164) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID106191164
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)NCC=C(C)C)C1
InChIInChI=1S/C15H26N2O3/c1-4-7-15(13(18)19)8-5-10-17(11-15)14(20)16-9-6-12(2)3/h6H,4-5,7-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyNLCPFDLTKDJBKG-UHFFFAOYSA-N
XLogP2.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-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-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-[(2-amino-2-oxoethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 55165305
3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid
CID 63227692
N-(3-methylbut-2-enyl)azetidine-1-carboxamide
CID 130669860
1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63135781
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
1-(but-3-yn-2-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 114418501
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63136426
1-(3-methylbut-2-enylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 106191155

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid (CID 106191164) is 1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)NCC=C(C)C)C1.
What is the InChIKey of 1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is NLCPFDLTKDJBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-7-15(13(18)19)8-5-10-17(11-15)14(20)16-9-6-12(2)3/h6H,4-5,7-11H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 106191164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).