1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid

C14H24N2O4 — CID 168690821

IUPAC1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCCN1CCC(N2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C14H24N2O4/c1-20-8-2-5-15-6-3-12(4-7-15)16-10-11(14(18)19)9-13(16)17/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyRZTMKFOMDOTVTL-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.42
Rot. Bonds6

About 1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid

1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168690821) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168690821
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCCN1CCC(N2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C14H24N2O4/c1-20-8-2-5-15-6-3-12(4-7-15)16-10-11(14(18)19)9-13(16)17/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyRZTMKFOMDOTVTL-UHFFFAOYSA-N
XLogP0.42
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-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-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid (CID 168690821) is 1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid is COCCCN1CCC(N2CC(C(=O)O)CC2=O)CC1.
What is the InChIKey of 1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is RZTMKFOMDOTVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-20-8-2-5-15-6-3-12(4-7-15)16-10-11(14(18)19)9-13(16)17/h11-12H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).