4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde

C15H23N3O5 — CID 108944710

IUPAC4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)CC(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C15H23N3O5/c19-12-16-5-7-18(8-6-16)14(21)11-13(20)17-3-1-15(2-4-17)22-9-10-23-15/h12H,1-11H2
InChIKeyPWNIYQMEBRQUBV-UHFFFAOYSA-N
MW325.37 g/mol
LogP-0.96
Rot. Bonds3

About 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde

4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde (PubChem CID 108944710) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
PubChem CID108944710
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)CC(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C15H23N3O5/c19-12-16-5-7-18(8-6-16)14(21)11-13(20)17-3-1-15(2-4-17)22-9-10-23-15/h12H,1-11H2
InChIKeyPWNIYQMEBRQUBV-UHFFFAOYSA-N
XLogP-0.96
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde 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 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde (CID 108944710) is 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)CC(=O)N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde?
The InChIKey is PWNIYQMEBRQUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c19-12-16-5-7-18(8-6-16)14(21)11-13(20)17-3-1-15(2-4-17)22-9-10-23-15/h12H,1-11H2.
What are the key properties of 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde?
4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde has a molecular weight of 325.37 g/mol, XLogP of -0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 108944710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).