1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione

C16H27N3O4 — CID 108944534

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione
SMILESCCN1CCN(C(=O)CC(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H27N3O4/c1-2-17-7-9-19(10-8-17)15(21)13-14(20)18-5-3-16(4-6-18)22-11-12-23-16/h2-13H2,1H3
InChIKeyLWUVXJNVRDCZRY-UHFFFAOYSA-N
MW325.41 g/mol
LogP-0.09
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione (PubChem CID 108944534) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione
PubChem CID108944534
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione
SMILESCCN1CCN(C(=O)CC(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H27N3O4/c1-2-17-7-9-19(10-8-17)15(21)13-14(20)18-5-3-16(4-6-18)22-11-12-23-16/h2-13H2,1H3
InChIKeyLWUVXJNVRDCZRY-UHFFFAOYSA-N
XLogP-0.09
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one
CID 39285941
1-(4-Acetylpiperazin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 52223532
3-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-1-morpholin-4-ylpropan-1-one
CID 52263147
1-(2,6-Dimethylpiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 71941398
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78894716
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 78897365
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 78898221
2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 81581678
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 87022131
(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 94145486
(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 94145487
(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 94145488

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione (CID 108944534) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione is CCN1CCN(C(=O)CC(=O)N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione?
The InChIKey is LWUVXJNVRDCZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-2-17-7-9-19(10-8-17)15(21)13-14(20)18-5-3-16(4-6-18)22-11-12-23-16/h2-13H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione has a molecular weight of 325.41 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione is sourced from PubChem (CID 108944534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).