(3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

C15H25N3O2 — CID 97487044

IUPAC(3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCOCC[C@H]1COC2(CCN(Cc3ccn[nH]3)CC2)C1
InChIInChI=1S/C15H25N3O2/c1-19-9-3-13-10-15(20-12-13)4-7-18(8-5-15)11-14-2-6-16-17-14/h2,6,13H,3-5,7-12H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyYJBIDHAIHZUJCI-CYBMUJFWSA-N
MW279.38 g/mol
LogP1.82
Rot. Bonds5

About (3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

(3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97487044) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID97487044
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCOCC[C@H]1COC2(CCN(Cc3ccn[nH]3)CC2)C1
InChIInChI=1S/C15H25N3O2/c1-19-9-3-13-10-15(20-12-13)4-7-18(8-5-15)11-14-2-6-16-17-14/h2,6,13H,3-5,7-12H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyYJBIDHAIHZUJCI-CYBMUJFWSA-N
XLogP1.82
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2-methoxyethyl)-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97394779
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97487075
3-(2-methoxyethyl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 134078912
[(3R)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394793
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394794
4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 141031204
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole
CID 131101674
[(3S,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 97394064
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 131645397
3-(2-methoxyethyl)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 134071247
ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen
CID 144702602
cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487110

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 97487044) is (3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is COCC[C@H]1COC2(CCN(Cc3ccn[nH]3)CC2)C1.
What is the InChIKey of (3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is YJBIDHAIHZUJCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-19-9-3-13-10-15(20-12-13)4-7-18(8-5-15)11-14-2-6-16-17-14/h2,6,13H,3-5,7-12H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
(3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 279.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methoxyethyl)-8-(1H-pyrazol-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97487044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).