3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one

C18H26N4O4 — CID 91925526

IUPAC3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCOC1C(=O)N(C2CCN(C(=O)c3ccnn3C)CC2)C12CCOCC2
InChIInChI=1S/C18H26N4O4/c1-20-14(3-8-19-20)16(23)21-9-4-13(5-10-21)22-17(24)15(25-2)18(22)6-11-26-12-7-18/h3,8,13,15H,4-7,9-12H2,1-2H3
InChIKeyFZWODCHKBVWCTC-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.43
Rot. Bonds3

About 3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one

3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one (PubChem CID 91925526) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
PubChem CID91925526
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCOC1C(=O)N(C2CCN(C(=O)c3ccnn3C)CC2)C12CCOCC2
InChIInChI=1S/C18H26N4O4/c1-20-14(3-8-19-20)16(23)21-9-4-13(5-10-21)22-17(24)15(25-2)18(22)6-11-26-12-7-18/h3,8,13,15H,4-7,9-12H2,1-2H3
InChIKeyFZWODCHKBVWCTC-UHFFFAOYSA-N
XLogP0.43
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[Methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91916169
3-Methoxy-4-{1-[2-(3-methyl-1H-pyrazol-1-YL)acetyl]piperidin-4-YL}-1-(propan-2-YL)azetidin-2-one
CID 124048700
4-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-3-methoxy-1-(propan-2-YL)azetidin-2-one
CID 91911576
1-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91912889
3-(Cyclopropylmethoxy)-1-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91912907
3-(Cyclopropylmethoxy)-1-[1-(1-ethyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91912908
1-[1-(1-Ethyl-1H-pyrazole-3-carbonyl)piperidin-4-YL]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91925527
1-{1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-4-piperidyl}-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91925528
3-(Cyclopropylmethoxy)-1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91925545
3-(Cyclopropylmethoxy)-1-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91925546
3-(Cyclopropylmethoxy)-1-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91925551
1-(Cyclopropylmethyl)-7-(2-ethylpyrazole-3-carbonyl)-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one
CID 124044843

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one (CID 91925526) is 3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one is COC1C(=O)N(C2CCN(C(=O)c3ccnn3C)CC2)C12CCOCC2.
What is the InChIKey of 3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The InChIKey is FZWODCHKBVWCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-20-14(3-8-19-20)16(23)21-9-4-13(5-10-21)22-17(24)15(25-2)18(22)6-11-26-12-7-18/h3,8,13,15H,4-7,9-12H2,1-2H3.
What are the key properties of 3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one has a molecular weight of 362.43 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91925526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).