(5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane

C14H23N3O2 — CID 110159249

IUPAC(5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
SMILESCO[C@H]1CCN(Cc2ccnn2C)C[C@@]12CCCO2
InChIInChI=1S/C14H23N3O2/c1-16-12(4-7-15-16)10-17-8-5-13(18-2)14(11-17)6-3-9-19-14/h4,7,13H,3,5-6,8-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyMPWPKFCBCNGMCA-KBPBESRZSA-N
MW265.36 g/mol
LogP1.19
Rot. Bonds3

About (5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane

(5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane (PubChem CID 110159249) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
PubChem CID110159249
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
SMILESCO[C@H]1CCN(Cc2ccnn2C)C[C@@]12CCCO2
InChIInChI=1S/C14H23N3O2/c1-16-12(4-7-15-16)10-17-8-5-13(18-2)14(11-17)6-3-9-19-14/h4,7,13H,3,5-6,8-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyMPWPKFCBCNGMCA-KBPBESRZSA-N
XLogP1.19
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 123444440
1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 110156976
1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 110159859
1-((1-((1,4-dioxan-2-yl)methoxy)cycloheptyl)methyl)-5-methyl-1H-pyrazole
CID 89498245
3-(2-Methylpyrazol-3-yl)-1-[2-(oxolan-2-ylmethoxy)ethyl]piperidine
CID 72127470
N-[(2-methylpyrazol-3-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903511
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 79907034
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-1-amine
CID 79907296
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 79907299
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-methylpyrazole
CID 79919152
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine
CID 79922824
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine
CID 79923594

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane (CID 110159249) is (5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane is CO[C@H]1CCN(Cc2ccnn2C)C[C@@]12CCCO2.
What is the InChIKey of (5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is MPWPKFCBCNGMCA-KBPBESRZSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16-12(4-7-15-16)10-17-8-5-13(18-2)14(11-17)6-3-9-19-14/h4,7,13H,3,5-6,8-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
(5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 265.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 110159249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).