7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one

C19H32N4O — CID 45173601

IUPAC7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)(C)CN1CCCC2(CCN(CCCn3cccn3)C2)C1=O
InChIInChI=1S/C19H32N4O/c1-18(2,3)15-22-11-4-7-19(17(22)24)8-14-21(16-19)10-6-13-23-12-5-9-20-23/h5,9,12H,4,6-8,10-11,13-16H2,1-3H3
InChIKeyZKILPIVRMYIZQP-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.63
Rot. Bonds5

About 7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45173601) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45173601
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)(C)CN1CCCC2(CCN(CCCn3cccn3)C2)C1=O
InChIInChI=1S/C19H32N4O/c1-18(2,3)15-22-11-4-7-19(17(22)24)8-14-21(16-19)10-6-13-23-12-5-9-20-23/h5,9,12H,4,6-8,10-11,13-16H2,1-3H3
InChIKeyZKILPIVRMYIZQP-UHFFFAOYSA-N
XLogP2.63
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45173601) is 7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)(C)CN1CCCC2(CCN(CCCn3cccn3)C2)C1=O.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZKILPIVRMYIZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-18(2,3)15-22-11-4-7-19(17(22)24)8-14-21(16-19)10-6-13-23-12-5-9-20-23/h5,9,12H,4,6-8,10-11,13-16H2,1-3H3.
What are the key properties of 7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 332.49 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45173601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).