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

C16H26N4O3 — CID 134078893

IUPACN,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
SMILESCN(C)C(=O)COC1COC2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C16H26N4O3/c1-18(2)15(21)11-22-14-6-16(23-10-14)4-5-20(12-16)9-13-7-17-19(3)8-13/h7-8,14H,4-6,9-12H2,1-3H3
InChIKeyJLKDIIWLEMTOQR-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.26
Rot. Bonds5

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

N,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide (PubChem CID 134078893) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
PubChem CID134078893
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
SMILESCN(C)C(=O)COC1COC2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C16H26N4O3/c1-18(2)15(21)11-22-14-6-16(23-10-14)4-5-20(12-16)9-13-7-17-19(3)8-13/h7-8,14H,4-6,9-12H2,1-3H3
InChIKeyJLKDIIWLEMTOQR-UHFFFAOYSA-N
XLogP0.26
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3R,5S)-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155825532
N,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide;2,2,2-trifluoroacetic acid
CID 171673268
N,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 131663053
N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071042
3-Methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 134078389
N,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97371182
N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97371183
(3R,5S)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 97372170
(3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 97372171
2-[[(3aR,5R,7aR)-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide
CID 97379137
(2R)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383758
(2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383759

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide (CID 134078893) is N,N-dimethyl-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,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide is CN(C)C(=O)COC1COC2(CCN(Cc3cnn(C)c3)C2)C1.
What is the InChIKey of N,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The InChIKey is JLKDIIWLEMTOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-18(2)15(21)11-22-14-6-16(23-10-14)4-5-20(12-16)9-13-7-17-19(3)8-13/h7-8,14H,4-6,9-12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
N,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide has a molecular weight of 322.41 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide is sourced from PubChem (CID 134078893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).