3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C18H32N4O — CID 118746971

IUPAC3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(Cc3cnn(C)c3)CC2)CN1C(C)C
InChIInChI=1S/C18H32N4O/c1-15(2)22-14-18(9-17(22)13-23-4)5-7-21(8-6-18)12-16-10-19-20(3)11-16/h10-11,15,17H,5-9,12-14H2,1-4H3
InChIKeyGNAJOKKSPVGKFX-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.13
Rot. Bonds5

About 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane

3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 118746971) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID118746971
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(Cc3cnn(C)c3)CC2)CN1C(C)C
InChIInChI=1S/C18H32N4O/c1-15(2)22-14-18(9-17(22)13-23-4)5-7-21(8-6-18)12-16-10-19-20(3)11-16/h10-11,15,17H,5-9,12-14H2,1-4H3
InChIKeyGNAJOKKSPVGKFX-UHFFFAOYSA-N
XLogP2.13
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-isopropylpiperidin-4-yl)methyl]-2-methoxy-N-[(1-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 47000472
(4R,4aS,7aS)-4-methoxy-6-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97420766
(3aS,7R,7aR)-N,N-diethyl-2-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-amine
CID 97461293
10-[(1-Methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118741067
{8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]dec-4-yl}methyl methyl ether
CID 91922091
[8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91922267
{2-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methyl methyl ether
CID 91922304
{8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]dec-4-yl}methyl methyl ether
CID 91922313
{2-cyclobutyl-8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methyl methyl ether
CID 91922334
3-(Methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746970
(5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 164639357
1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine
CID 166841874

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 118746971) is 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane is COCC1CC2(CCN(Cc3cnn(C)c3)CC2)CN1C(C)C.
What is the InChIKey of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is GNAJOKKSPVGKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-15(2)22-14-18(9-17(22)13-23-4)5-7-21(8-6-18)12-16-10-19-20(3)11-16/h10-11,15,17H,5-9,12-14H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 320.48 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 118746971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).