[2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate

C17H25N3O4 — CID 23245137

IUPAC[2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate
SMILESCOC(=O)CCc1cnc(N)c(OC(=O)CCC2CCNCC2)c1
InChIInChI=1S/C17H25N3O4/c1-23-15(21)4-3-13-10-14(17(18)20-11-13)24-16(22)5-2-12-6-8-19-9-7-12/h10-12,19H,2-9H2,1H3,(H2,18,20)
InChIKeyINWRWEAURZXTQJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.45
Rot. Bonds7

About [2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate

[2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate (PubChem CID 23245137) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is [2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate.

Molecular Properties

Compound Name[2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate
PubChem CID23245137
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name[2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate
SMILESCOC(=O)CCc1cnc(N)c(OC(=O)CCC2CCNCC2)c1
InChIInChI=1S/C17H25N3O4/c1-23-15(21)4-3-13-10-14(17(18)20-11-13)24-16(22)5-2-12-6-8-19-9-7-12/h10-12,19H,2-9H2,1H3,(H2,18,20)
InChIKeyINWRWEAURZXTQJ-UHFFFAOYSA-N
XLogP1.45
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate 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 [2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate?
The IUPAC name of [2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate (CID 23245137) is [2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate.
What is the SMILES notation for [2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate?
The canonical SMILES for [2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate is COC(=O)CCc1cnc(N)c(OC(=O)CCC2CCNCC2)c1.
What is the InChIKey of [2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate?
The InChIKey is INWRWEAURZXTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-23-15(21)4-3-13-10-14(17(18)20-11-13)24-16(22)5-2-12-6-8-19-9-7-12/h10-12,19H,2-9H2,1H3,(H2,18,20).
What are the key properties of [2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate?
[2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate has a molecular weight of 335.40 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(3-methoxy-3-oxopropyl)-3-pyridinyl] 3-piperidin-4-ylpropanoate is sourced from PubChem (CID 23245137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).