4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate

C19H25N2O3- — CID 86751925

IUPAC4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate
SMILESCC1(C)CCCN(C(=O)C2CC(C(=O)[O-])NC2c2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c1-19(2)9-6-10-21(12-19)17(22)14-11-15(18(23)24)20-16(14)13-7-4-3-5-8-13/h3-5,7-8,14-16,20H,6,9-12H2,1-2H3,(H,23,24)/p-1
InChIKeyJMYOWUBXKNBMED-UHFFFAOYSA-M
MW329.42 g/mol
LogP1.10
Rot. Bonds3

About 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate

4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate (PubChem CID 86751925) has the molecular formula C19H25N2O3- and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate
PubChem CID86751925
Molecular FormulaC19H25N2O3-
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate
SMILESCC1(C)CCCN(C(=O)C2CC(C(=O)[O-])NC2c2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c1-19(2)9-6-10-21(12-19)17(22)14-11-15(18(23)24)20-16(14)13-7-4-3-5-8-13/h3-5,7-8,14-16,20H,6,9-12H2,1-2H3,(H,23,24)/p-1
InChIKeyJMYOWUBXKNBMED-UHFFFAOYSA-M
XLogP1.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate 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 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate?
The IUPAC name of 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate (CID 86751925) is 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate is CC1(C)CCCN(C(=O)C2CC(C(=O)[O-])NC2c2ccccc2)C1.
What is the InChIKey of 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate?
The InChIKey is JMYOWUBXKNBMED-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H26N2O3/c1-19(2)9-6-10-21(12-19)17(22)14-11-15(18(23)24)20-16(14)13-7-4-3-5-8-13/h3-5,7-8,14-16,20H,6,9-12H2,1-2H3,(H,23,24)/p-1.
What are the key properties of 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate?
4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate has a molecular weight of 329.42 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 86751925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).