3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C18H29N3O4 — CID 71855528

IUPAC3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC1(C2CCN(CCN3C(=O)NC4(CCCC4)C3=O)CC2)OCCO1
InChIInChI=1S/C18H29N3O4/c1-17(24-12-13-25-17)14-4-8-20(9-5-14)10-11-21-15(22)18(19-16(21)23)6-2-3-7-18/h14H,2-13H2,1H3,(H,19,23)
InChIKeyBPUYLERAQTURGV-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.33
Rot. Bonds4

About 3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 71855528) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID71855528
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC1(C2CCN(CCN3C(=O)NC4(CCCC4)C3=O)CC2)OCCO1
InChIInChI=1S/C18H29N3O4/c1-17(24-12-13-25-17)14-4-8-20(9-5-14)10-11-21-15(22)18(19-16(21)23)6-2-3-7-18/h14H,2-13H2,1H3,(H,19,23)
InChIKeyBPUYLERAQTURGV-UHFFFAOYSA-N
XLogP1.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione 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 3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 71855528) is 3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CC1(C2CCN(CCN3C(=O)NC4(CCCC4)C3=O)CC2)OCCO1.
What is the InChIKey of 3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is BPUYLERAQTURGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-17(24-12-13-25-17)14-4-8-20(9-5-14)10-11-21-15(22)18(19-16(21)23)6-2-3-7-18/h14H,2-13H2,1H3,(H,19,23).
What are the key properties of 3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 351.45 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 71855528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).