4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid

C15H26N2O4 — CID 63128767

IUPAC4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)N2CC(OC)CC2C(=O)O)CCNCC1
InChIInChI=1S/C15H26N2O4/c1-3-4-15(5-7-16-8-6-15)14(20)17-10-11(21-2)9-12(17)13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyIEMQUIFIUXPLAL-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.86
Rot. Bonds5

About 4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 63128767) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID63128767
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)N2CC(OC)CC2C(=O)O)CCNCC1
InChIInChI=1S/C15H26N2O4/c1-3-4-15(5-7-16-8-6-15)14(20)17-10-11(21-2)9-12(17)13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyIEMQUIFIUXPLAL-UHFFFAOYSA-N
XLogP0.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 63128767) is 4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid is CCCC1(C(=O)N2CC(OC)CC2C(=O)O)CCNCC1.
What is the InChIKey of 4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IEMQUIFIUXPLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-4-15(5-7-16-8-6-15)14(20)17-10-11(21-2)9-12(17)13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63128767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).