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

C22H32N4O4 — CID 91925545

IUPAC3-(cyclopropylmethoxy)-1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCCn1ccc(C(=O)N2CCC(N3C(=O)C(OCC4CC4)C34CCOCC4)CC2)n1
InChIInChI=1S/C22H32N4O4/c1-2-25-12-7-18(23-25)20(27)24-10-5-17(6-11-24)26-21(28)19(30-15-16-3-4-16)22(26)8-13-29-14-9-22/h7,12,16-17,19H,2-6,8-11,13-15H2,1H3
InChIKeyVUXPDYZBRHYJSR-UHFFFAOYSA-N
MW416.52 g/mol
LogP1.69
Rot. Bonds6

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

3-(cyclopropylmethoxy)-1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one (PubChem CID 91925545) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
PubChem CID91925545
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Name3-(cyclopropylmethoxy)-1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCCn1ccc(C(=O)N2CCC(N3C(=O)C(OCC4CC4)C34CCOCC4)CC2)n1
InChIInChI=1S/C22H32N4O4/c1-2-25-12-7-18(23-25)20(27)24-10-5-17(6-11-24)26-21(28)19(30-15-16-3-4-16)22(26)8-13-29-14-9-22/h7,12,16-17,19H,2-6,8-11,13-15H2,1H3
InChIKeyVUXPDYZBRHYJSR-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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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 3-(cyclopropylmethoxy)-1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one (CID 91925545) is 3-(cyclopropylmethoxy)-1-[1-(1-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-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 3-(cyclopropylmethoxy)-1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one is CCn1ccc(C(=O)N2CCC(N3C(=O)C(OCC4CC4)C34CCOCC4)CC2)n1.
What is the InChIKey of 3-(cyclopropylmethoxy)-1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The InChIKey is VUXPDYZBRHYJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-2-25-12-7-18(23-25)20(27)24-10-5-17(6-11-24)26-21(28)19(30-15-16-3-4-16)22(26)8-13-29-14-9-22/h7,12,16-17,19H,2-6,8-11,13-15H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
3-(cyclopropylmethoxy)-1-[1-(1-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-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91925545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).