[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C24H34N4O2 — CID 69437110

IUPAC[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)C2)n[nH]1
InChIInChI=1S/C24H34N4O2/c1-18(2)16-30-22-7-5-4-6-20(22)15-27-11-8-24(9-12-27)10-13-28(17-24)23(29)21-14-19(3)25-26-21/h4-7,14,18H,8-13,15-17H2,1-3H3,(H,25,26)
InChIKeySGHNHBNFHMEYEY-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.88
Rot. Bonds6

About [8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 69437110) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is [8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID69437110
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)C2)n[nH]1
InChIInChI=1S/C24H34N4O2/c1-18(2)16-30-22-7-5-4-6-20(22)15-27-11-8-24(9-12-27)10-13-28(17-24)23(29)21-14-19(3)25-26-21/h4-7,14,18H,8-13,15-17H2,1-3H3,(H,25,26)
InChIKeySGHNHBNFHMEYEY-UHFFFAOYSA-N
XLogP3.88
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 69427107
[7-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone
CID 69428746
(2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 69429777
(6-methoxynaphthalen-2-yl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 69428040
(4-chloro-2-methylsulfonylphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 69430170
[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-quinolin-2-ylmethanone
CID 69425001
2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 69429885
(4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 69429929
1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 69429169
[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone;2,2,2-trifluoroacetic acid
CID 87834411
2-(3,5-dimethylphenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 69438508
[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-4-ylmethanone
CID 69429871

Frequently Asked Questions

What is the IUPAC name of [8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 69437110) is [8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)C2)n[nH]1.
What is the InChIKey of [8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is SGHNHBNFHMEYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-18(2)16-30-22-7-5-4-6-20(22)15-27-11-8-24(9-12-27)10-13-28(17-24)23(29)21-14-19(3)25-26-21/h4-7,14,18H,8-13,15-17H2,1-3H3,(H,25,26).
What are the key properties of [8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 410.56 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 69437110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).