1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid

C15H29N3O3 — CID 106743904

IUPAC1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCCN(CC)CCCNC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C15H29N3O3/c1-4-17(5-2)9-6-8-16-15(21)18-10-7-13(14(19)20)11-12(18)3/h12-13H,4-11H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyVOZCILSDLVDTTO-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.61
Rot. Bonds7

About 1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid

1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106743904) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106743904
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCCN(CC)CCCNC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C15H29N3O3/c1-4-17(5-2)9-6-8-16-15(21)18-10-7-13(14(19)20)11-12(18)3/h12-13H,4-11H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyVOZCILSDLVDTTO-UHFFFAOYSA-N
XLogP1.61
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid (CID 106743904) is 1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid is CCN(CC)CCCNC(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is VOZCILSDLVDTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-4-17(5-2)9-6-8-16-15(21)18-10-7-13(14(19)20)11-12(18)3/h12-13H,4-11H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106743904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).