8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

C15H22N4O2 — CID 82872644

IUPAC8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCn1ccc(CN2C(=O)C3(CCCC3)NC(=O)C2(C)C)n1
InChIInChI=1S/C15H22N4O2/c1-14(2)12(20)16-15(7-4-5-8-15)13(21)19(14)10-11-6-9-18(3)17-11/h6,9H,4-5,7-8,10H2,1-3H3,(H,16,20)
InChIKeyBSISNFAPGJEMRQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.97
Rot. Bonds2

About 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 82872644) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID82872644
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCn1ccc(CN2C(=O)C3(CCCC3)NC(=O)C2(C)C)n1
InChIInChI=1S/C15H22N4O2/c1-14(2)12(20)16-15(7-4-5-8-15)13(21)19(14)10-11-6-9-18(3)17-11/h6,9H,4-5,7-8,10H2,1-3H3,(H,16,20)
InChIKeyBSISNFAPGJEMRQ-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 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 82872644) is 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is Cn1ccc(CN2C(=O)C3(CCCC3)NC(=O)C2(C)C)n1.
What is the InChIKey of 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is BSISNFAPGJEMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-14(2)12(20)16-15(7-4-5-8-15)13(21)19(14)10-11-6-9-18(3)17-11/h6,9H,4-5,7-8,10H2,1-3H3,(H,16,20).
What are the key properties of 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-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 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 82872644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).