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

C19H28N4O4 — CID 91925527

IUPAC1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCCn1ccc(C(=O)N2CCC(N3C(=O)C(OC)C34CCOCC4)CC2)n1
InChIInChI=1S/C19H28N4O4/c1-3-22-11-6-15(20-22)17(24)21-9-4-14(5-10-21)23-18(25)16(26-2)19(23)7-12-27-13-8-19/h6,11,14,16H,3-5,7-10,12-13H2,1-2H3
InChIKeyHVAGUUQJWUKGJS-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.91
Rot. Bonds4

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

1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one (PubChem CID 91925527) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
PubChem CID91925527
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCCn1ccc(C(=O)N2CCC(N3C(=O)C(OC)C34CCOCC4)CC2)n1
InChIInChI=1S/C19H28N4O4/c1-3-22-11-6-15(20-22)17(24)21-9-4-14(5-10-21)23-18(25)16(26-2)19(23)7-12-27-13-8-19/h6,11,14,16H,3-5,7-10,12-13H2,1-2H3
InChIKeyHVAGUUQJWUKGJS-UHFFFAOYSA-N
XLogP0.91
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one (CID 91925527) is 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one is CCn1ccc(C(=O)N2CCC(N3C(=O)C(OC)C34CCOCC4)CC2)n1.
What is the InChIKey of 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
The InChIKey is HVAGUUQJWUKGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-3-22-11-6-15(20-22)17(24)21-9-4-14(5-10-21)23-18(25)16(26-2)19(23)7-12-27-13-8-19/h6,11,14,16H,3-5,7-10,12-13H2,1-2H3.
What are the key properties of 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one has a molecular weight of 376.46 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91925527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).