(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane

C20H33N3O3 — CID 124819040

IUPAC(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
SMILESCn1cc(CN2CC3(C[C@H](CCOCC4CCOCC4)CCO3)C2)cn1
InChIInChI=1S/C20H33N3O3/c1-22-12-19(11-21-22)13-23-15-20(16-23)10-17(5-9-26-20)2-8-25-14-18-3-6-24-7-4-18/h11-12,17-18H,2-10,13-16H2,1H3/t17-/m1/s1
InChIKeyPMXGGANAQQYISB-QGZVFWFLSA-N
MW363.50 g/mol
LogP2.23
Rot. Bonds7

About (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane

(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124819040) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124819040
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
SMILESCn1cc(CN2CC3(C[C@H](CCOCC4CCOCC4)CCO3)C2)cn1
InChIInChI=1S/C20H33N3O3/c1-22-12-19(11-21-22)13-23-15-20(16-23)10-17(5-9-26-20)2-8-25-14-18-3-6-24-7-4-18/h11-12,17-18H,2-10,13-16H2,1H3/t17-/m1/s1
InChIKeyPMXGGANAQQYISB-QGZVFWFLSA-N
XLogP2.23
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124816647
(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124818161
2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155846612
1-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124801146
2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 131661480
(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124815514
(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124815516
(8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124789023
8-[2-(cyclopropylmethoxy)ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155848112
8-ethoxy-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 131646131
(8R)-2-(furan-3-ylmethyl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124805158
(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124913089

Frequently Asked Questions

What is the IUPAC name of (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane (CID 124819040) is (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane is Cn1cc(CN2CC3(C[C@H](CCOCC4CCOCC4)CCO3)C2)cn1.
What is the InChIKey of (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is PMXGGANAQQYISB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-22-12-19(11-21-22)13-23-15-20(16-23)10-17(5-9-26-20)2-8-25-14-18-3-6-24-7-4-18/h11-12,17-18H,2-10,13-16H2,1H3/t17-/m1/s1.
What are the key properties of (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?
(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 363.50 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124819040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).