1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid

C16H28N2O3 — CID 83063296

IUPAC1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)C2(CC)CCCN2)C1
InChIInChI=1S/C16H28N2O3/c1-3-7-15(14(20)21)8-6-11-18(12-15)13(19)16(4-2)9-5-10-17-16/h17H,3-12H2,1-2H3,(H,20,21)
InChIKeyDHUNAXOQLCWTEM-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.01
Rot. Bonds5

About 1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid

1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 83063296) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID83063296
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)C2(CC)CCCN2)C1
InChIInChI=1S/C16H28N2O3/c1-3-7-15(14(20)21)8-6-11-18(12-15)13(19)16(4-2)9-5-10-17-16/h17H,3-12H2,1-2H3,(H,20,21)
InChIKeyDHUNAXOQLCWTEM-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid (CID 83063296) is 1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)C2(CC)CCCN2)C1.
What is the InChIKey of 1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is DHUNAXOQLCWTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-7-15(14(20)21)8-6-11-18(12-15)13(19)16(4-2)9-5-10-17-16/h17H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83063296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).