3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C14H22N4O2 — CID 56915583

IUPAC3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCc1nccn1CCCN1CCC2(C1)CN(C)C(=O)O2
InChIInChI=1S/C14H22N4O2/c1-12-15-5-9-18(12)7-3-6-17-8-4-14(11-17)10-16(2)13(19)20-14/h5,9H,3-4,6-8,10-11H2,1-2H3
InChIKeyHSJXLCXVUOUHAG-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.11
Rot. Bonds4

About 3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56915583) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID56915583
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCc1nccn1CCCN1CCC2(C1)CN(C)C(=O)O2
InChIInChI=1S/C14H22N4O2/c1-12-15-5-9-18(12)7-3-6-17-8-4-14(11-17)10-16(2)13(19)20-14/h5,9H,3-4,6-8,10-11H2,1-2H3
InChIKeyHSJXLCXVUOUHAG-UHFFFAOYSA-N
XLogP1.11
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one 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-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56915583) is 3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is Cc1nccn1CCCN1CCC2(C1)CN(C)C(=O)O2.
What is the InChIKey of 3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is HSJXLCXVUOUHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-12-15-5-9-18(12)7-3-6-17-8-4-14(11-17)10-16(2)13(19)20-14/h5,9H,3-4,6-8,10-11H2,1-2H3.
What are the key properties of 3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 278.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56915583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).