[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone

C13H19N3O3 — CID 110155717

IUPAC[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone
SMILESCO[C@H]1CN(C(=O)c2ccn[nH]2)CC[C@@]12CCCO2
InChIInChI=1S/C13H19N3O3/c1-18-11-9-16(12(17)10-3-6-14-15-10)7-5-13(11)4-2-8-19-13/h3,6,11H,2,4-5,7-9H2,1H3,(H,14,15)/t11-,13-/m0/s1
InChIKeyXMILJNYVJCROMC-AAEUAGOBSA-N
MW265.31 g/mol
LogP0.82
Rot. Bonds2

About [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone

[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 110155717) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID110155717
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone
SMILESCO[C@H]1CN(C(=O)c2ccn[nH]2)CC[C@@]12CCCO2
InChIInChI=1S/C13H19N3O3/c1-18-11-9-16(12(17)10-3-6-14-15-10)7-5-13(11)4-2-8-19-13/h3,6,11H,2,4-5,7-9H2,1H3,(H,14,15)/t11-,13-/m0/s1
InChIKeyXMILJNYVJCROMC-AAEUAGOBSA-N
XLogP0.82
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone
CID 110156841
[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110156464
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone
CID 110156307
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110156409
2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110156509
1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone
CID 110159725
[3-(3-aminopropoxy)phenyl]-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159866
N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide
CID 110159553
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 110156686
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74244805
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(1H-pyrazol-5-yl)methanone
CID 56819364

Frequently Asked Questions

What is the IUPAC name of [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone (CID 110155717) is [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone is CO[C@H]1CN(C(=O)c2ccn[nH]2)CC[C@@]12CCCO2.
What is the InChIKey of [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is XMILJNYVJCROMC-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-11-9-16(12(17)10-3-6-14-15-10)7-5-13(11)4-2-8-19-13/h3,6,11H,2,4-5,7-9H2,1H3,(H,14,15)/t11-,13-/m0/s1.
What are the key properties of [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone?
[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 265.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110155717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).