1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid

C15H26N2O4 — CID 63125553

IUPAC1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2CC(OC)CN2)CC1
InChIInChI=1S/C15H26N2O4/c1-3-4-15(14(19)20)5-7-17(8-6-15)13(18)12-9-11(21-2)10-16-12/h11-12,16H,3-10H2,1-2H3,(H,19,20)
InChIKeyUGRBVCYMVOCRCT-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.86
Rot. Bonds5

About 1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid

1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63125553) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63125553
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2CC(OC)CN2)CC1
InChIInChI=1S/C15H26N2O4/c1-3-4-15(14(19)20)5-7-17(8-6-15)13(18)12-9-11(21-2)10-16-12/h11-12,16H,3-10H2,1-2H3,(H,19,20)
InChIKeyUGRBVCYMVOCRCT-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 1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid (CID 63125553) is 1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)C2CC(OC)CN2)CC1.
What is the InChIKey of 1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is UGRBVCYMVOCRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-4-15(14(19)20)5-7-17(8-6-15)13(18)12-9-11(21-2)10-16-12/h11-12,16H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-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 1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).