2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide

C17H28N4O3 — CID 124807354

IUPAC2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
SMILESCCn1cc(CN2CC3(C[C@H](OCC(=O)N(C)C)CCO3)C2)cn1
InChIInChI=1S/C17H28N4O3/c1-4-21-10-14(8-18-21)9-20-12-17(13-20)7-15(5-6-24-17)23-11-16(22)19(2)3/h8,10,15H,4-7,9,11-13H2,1-3H3/t15-/m1/s1
InChIKeyOXMBDVGOROMDIV-OAHLLOKOSA-N
MW336.44 g/mol
LogP0.74
Rot. Bonds6

About 2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide

2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide (PubChem CID 124807354) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
PubChem CID124807354
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
SMILESCCn1cc(CN2CC3(C[C@H](OCC(=O)N(C)C)CCO3)C2)cn1
InChIInChI=1S/C17H28N4O3/c1-4-21-10-14(8-18-21)9-20-12-17(13-20)7-15(5-6-24-17)23-11-16(22)19(2)3/h8,10,15H,4-7,9,11-13H2,1-3H3/t15-/m1/s1
InChIKeyOXMBDVGOROMDIV-OAHLLOKOSA-N
XLogP0.74
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(1-Methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155827697
8-Ethoxy-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155834228
2-[[2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155849603
8-Methoxy-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155852002
N,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 131663053
N,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134078893
2-Cyclohexyloxy-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56779089
2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 56788956
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-2H-pyran-2-carboxamide
CID 77090533
2-cyclohexyloxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 87002544
2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603265
2-cyclohexyloxy-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603266

Frequently Asked Questions

What is the IUPAC name of 2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide (CID 124807354) is 2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide is CCn1cc(CN2CC3(C[C@H](OCC(=O)N(C)C)CCO3)C2)cn1.
What is the InChIKey of 2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is OXMBDVGOROMDIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-21-10-14(8-18-21)9-20-12-17(13-20)7-15(5-6-24-17)23-11-16(22)19(2)3/h8,10,15H,4-7,9,11-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide?
2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 336.44 g/mol, XLogP of 0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 124807354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).