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

C22H32N4O4 — CID 91912908

IUPAC3-(cyclopropylmethoxy)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCCn1nccc1C(=O)N1CCC(N2C(=O)C(OCC3CC3)C23CCOCC3)CC1
InChIInChI=1S/C22H32N4O4/c1-2-25-18(5-10-23-25)20(27)24-11-6-17(7-12-24)26-21(28)19(30-15-16-3-4-16)22(26)8-13-29-14-9-22/h5,10,16-17,19H,2-4,6-9,11-15H2,1H3
InChIKeyXWMFWORKRYIISG-UHFFFAOYSA-N
MW416.52 g/mol
LogP1.69
Rot. Bonds6

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

3-(cyclopropylmethoxy)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one (PubChem CID 91912908) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
PubChem CID91912908
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Name3-(cyclopropylmethoxy)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCCn1nccc1C(=O)N1CCC(N2C(=O)C(OCC3CC3)C23CCOCC3)CC1
InChIInChI=1S/C22H32N4O4/c1-2-25-18(5-10-23-25)20(27)24-11-6-17(7-12-24)26-21(28)19(30-15-16-3-4-16)22(26)8-13-29-14-9-22/h5,10,16-17,19H,2-4,6-9,11-15H2,1H3
InChIKeyXWMFWORKRYIISG-UHFFFAOYSA-N
XLogP1.69
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-Methoxy-1-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91925526
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
1-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-3-(2-methoxyethoxy)-1-azaspiro[3.5]nonane
CID 124044978
3-(Cyclopropylmethoxy)-1-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonane
CID 124045013

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 3-(cyclopropylmethoxy)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one (CID 91912908) is 3-(cyclopropylmethoxy)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 3-(cyclopropylmethoxy)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 3-(cyclopropylmethoxy)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one is CCn1nccc1C(=O)N1CCC(N2C(=O)C(OCC3CC3)C23CCOCC3)CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The InChIKey is XWMFWORKRYIISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-2-25-18(5-10-23-25)20(27)24-11-6-17(7-12-24)26-21(28)19(30-15-16-3-4-16)22(26)8-13-29-14-9-22/h5,10,16-17,19H,2-4,6-9,11-15H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
3-(cyclopropylmethoxy)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one has a molecular weight of 416.52 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91912908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).