7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C18H30N4O — CID 45205379

IUPAC7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cc(CN2CCC3(CCCN(CC(C)(C)C)C3=O)C2)cn1
InChIInChI=1S/C18H30N4O/c1-17(2,3)13-22-8-5-6-18(16(22)23)7-9-21(14-18)12-15-10-19-20(4)11-15/h10-11H,5-9,12-14H2,1-4H3
InChIKeyOIKHUYDVDOZDAP-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.28
Rot. Bonds3

About 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45205379) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45205379
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cc(CN2CCC3(CCCN(CC(C)(C)C)C3=O)C2)cn1
InChIInChI=1S/C18H30N4O/c1-17(2,3)13-22-8-5-6-18(16(22)23)7-9-21(14-18)12-15-10-19-20(4)11-15/h10-11H,5-9,12-14H2,1-4H3
InChIKeyOIKHUYDVDOZDAP-UHFFFAOYSA-N
XLogP2.28
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.28
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-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45205379) is 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cn1cc(CN2CCC3(CCCN(CC(C)(C)C)C3=O)C2)cn1.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is OIKHUYDVDOZDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-17(2,3)13-22-8-5-6-18(16(22)23)7-9-21(14-18)12-15-10-19-20(4)11-15/h10-11H,5-9,12-14H2,1-4H3.
What are the key properties of 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 318.46 g/mol, XLogP of 2.28, 3 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-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45205379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).