3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

C15H22N4O2 — CID 82872643

IUPAC3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1C(=O)NC2(CCCCC2)C(=O)N1Cc1ccn(C)n1
InChIInChI=1S/C15H22N4O2/c1-11-13(20)16-15(7-4-3-5-8-15)14(21)19(11)10-12-6-9-18(2)17-12/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,16,20)
InChIKeyVRWMZRFLFAAMTP-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.97
Rot. Bonds2

About 3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 82872643) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID82872643
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1C(=O)NC2(CCCCC2)C(=O)N1Cc1ccn(C)n1
InChIInChI=1S/C15H22N4O2/c1-11-13(20)16-15(7-4-3-5-8-15)14(21)19(11)10-12-6-9-18(2)17-12/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,16,20)
InChIKeyVRWMZRFLFAAMTP-UHFFFAOYSA-N
XLogP0.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 82872643) is 3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1C(=O)NC2(CCCCC2)C(=O)N1Cc1ccn(C)n1.
What is the InChIKey of 3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is VRWMZRFLFAAMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-13(20)16-15(7-4-3-5-8-15)14(21)19(11)10-12-6-9-18(2)17-12/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,16,20).
What are the key properties of 3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 290.37 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 82872643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).