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

C18H29N3O3 — CID 124816647

IUPAC(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESCn1cc(CN2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)cn1
InChIInChI=1S/C18H29N3O3/c1-20-10-16(9-19-20)11-21-13-18(14-21)8-17(4-7-24-18)23-12-15-2-5-22-6-3-15/h9-10,15,17H,2-8,11-14H2,1H3/t17-/m1/s1
InChIKeyJDNMGJXODQIOMI-QGZVFWFLSA-N
MW335.45 g/mol
LogP1.60
Rot. Bonds5

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

(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124816647) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124816647
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESCn1cc(CN2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)cn1
InChIInChI=1S/C18H29N3O3/c1-20-10-16(9-19-20)11-21-13-18(14-21)8-17(4-7-24-18)23-12-15-2-5-22-6-3-15/h9-10,15,17H,2-8,11-14H2,1H3/t17-/m1/s1
InChIKeyJDNMGJXODQIOMI-QGZVFWFLSA-N
XLogP1.60
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124819040
(8R)-2-(furan-3-ylmethyl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124805158
(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-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124812434
8-ethoxy-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 131646131
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131663586
2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131649957
7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane
CID 131663709
(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124818161
2-[(5-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155835158
(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124810926

Frequently Asked Questions

What is the IUPAC name of (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (CID 124816647) is (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is Cn1cc(CN2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)cn1.
What is the InChIKey of (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is JDNMGJXODQIOMI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-20-10-16(9-19-20)11-21-13-18(14-21)8-17(4-7-24-18)23-12-15-2-5-22-6-3-15/h9-10,15,17H,2-8,11-14H2,1H3/t17-/m1/s1.
What are the key properties of (8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 335.45 g/mol, XLogP of 1.60, 5 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-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124816647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).