11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione

C15H22N4O2 — CID 64882771

IUPAC11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESO=C1CCN(CCn2cccn2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C15H22N4O2/c20-13-5-10-18(11-12-19-9-4-8-16-19)14(21)15(17-13)6-2-1-3-7-15/h4,8-9H,1-3,5-7,10-12H2,(H,17,20)
InChIKeyHMFXBXWUGPTUDN-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.93
Rot. Bonds3

About 11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione

11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione (PubChem CID 64882771) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione.

Molecular Properties

Compound Name11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
PubChem CID64882771
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESO=C1CCN(CCn2cccn2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C15H22N4O2/c20-13-5-10-18(11-12-19-9-4-8-16-19)14(21)15(17-13)6-2-1-3-7-15/h4,8-9H,1-3,5-7,10-12H2,(H,17,20)
InChIKeyHMFXBXWUGPTUDN-UHFFFAOYSA-N
XLogP0.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

11-propyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883747
11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883163
11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64972524
11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 116645589
11-(1,3-thiazol-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64965803
10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106409683
10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64965758
10-(2-thiophen-3-ylethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64882632
11-(2-prop-2-ynylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 106432997
10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106045858
4-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64879190
11-[(5-methyl-1,2-oxazol-3-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64967825

Frequently Asked Questions

What is the IUPAC name of 11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The IUPAC name of 11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione (CID 64882771) is 11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione.
What is the SMILES notation for 11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The canonical SMILES for 11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione is O=C1CCN(CCn2cccn2)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The InChIKey is HMFXBXWUGPTUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-13-5-10-18(11-12-19-9-4-8-16-19)14(21)15(17-13)6-2-1-3-7-15/h4,8-9H,1-3,5-7,10-12H2,(H,17,20).
What are the key properties of 11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione has a molecular weight of 290.37 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione is sourced from PubChem (CID 64882771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).