N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide

C15H24N4O3 — CID 134071042

IUPACN-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
SMILESCNC(=O)COC1COC2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C15H24N4O3/c1-16-14(20)10-21-13-5-15(22-9-13)3-4-19(11-15)8-12-6-17-18(2)7-12/h6-7,13H,3-5,8-11H2,1-2H3,(H,16,20)
InChIKeyCOIXDUFDSSJFEO-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.08
Rot. Bonds5

About N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide

N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide (PubChem CID 134071042) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
PubChem CID134071042
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
SMILESCNC(=O)COC1COC2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C15H24N4O3/c1-16-14(20)10-21-13-5-15(22-9-13)3-4-19(11-15)8-12-6-17-18(2)7-12/h6-7,13H,3-5,8-11H2,1-2H3,(H,16,20)
InChIKeyCOIXDUFDSSJFEO-UHFFFAOYSA-N
XLogP-0.08
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The IUPAC name of N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide (CID 134071042) is N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide.
What is the SMILES notation for N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The canonical SMILES for N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide is CNC(=O)COC1COC2(CCN(Cc3cnn(C)c3)C2)C1.
What is the InChIKey of N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The InChIKey is COIXDUFDSSJFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-16-14(20)10-21-13-5-15(22-9-13)3-4-19(11-15)8-12-6-17-18(2)7-12/h6-7,13H,3-5,8-11H2,1-2H3,(H,16,20).
What are the key properties of N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide has a molecular weight of 308.38 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide is sourced from PubChem (CID 134071042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).