N,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide

C17H28N4O3 — CID 97371182

IUPACN,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
SMILESCN(C)C(=O)CO[C@@H]1COC2(CCN(Cc3cnn(C)c3)CC2)C1
InChIInChI=1S/C17H28N4O3/c1-19(2)16(22)13-23-15-8-17(24-12-15)4-6-21(7-5-17)11-14-9-18-20(3)10-14/h9-10,15H,4-8,11-13H2,1-3H3/t15-/m0/s1
InChIKeyWBNBOPDUODZNNV-HNNXBMFYSA-N
MW336.44 g/mol
LogP0.65
Rot. Bonds5

About N,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide

N,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide (PubChem CID 97371182) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
PubChem CID97371182
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
SMILESCN(C)C(=O)CO[C@@H]1COC2(CCN(Cc3cnn(C)c3)CC2)C1
InChIInChI=1S/C17H28N4O3/c1-19(2)16(22)13-23-15-8-17(24-12-15)4-6-21(7-5-17)11-14-9-18-20(3)10-14/h9-10,15H,4-8,11-13H2,1-3H3/t15-/m0/s1
InChIKeyWBNBOPDUODZNNV-HNNXBMFYSA-N
XLogP0.65
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-1-[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 118740926
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
(2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124805421
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-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134078893
Tert-butyl 3-(4-methylpyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 163735915
1-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 53559941
1-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one
CID 53559945
1-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 53601455
1-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one
CID 56779122

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide (CID 97371182) is N,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide is CN(C)C(=O)CO[C@@H]1COC2(CCN(Cc3cnn(C)c3)CC2)C1.
What is the InChIKey of N,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The InChIKey is WBNBOPDUODZNNV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-19(2)16(22)13-23-15-8-17(24-12-15)4-6-21(7-5-17)11-14-9-18-20(3)10-14/h9-10,15H,4-8,11-13H2,1-3H3/t15-/m0/s1.
What are the key properties of N,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide?
N,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide has a molecular weight of 336.44 g/mol, XLogP of 0.65, 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-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide is sourced from PubChem (CID 97371182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).