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

C18H30N4O3 — CID 131663053

IUPACN,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
SMILESCN(C)C(=O)COCC1CC2(CCN(Cc3cnn(C)c3)CC2)CO1
InChIInChI=1S/C18H30N4O3/c1-20(2)17(23)13-24-12-16-8-18(14-25-16)4-6-22(7-5-18)11-15-9-19-21(3)10-15/h9-10,16H,4-8,11-14H2,1-3H3
InChIKeyNGPHAJYBMZMPLT-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.90
Rot. Bonds6

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

N,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide (PubChem CID 131663053) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
PubChem CID131663053
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
SMILESCN(C)C(=O)COCC1CC2(CCN(Cc3cnn(C)c3)CC2)CO1
InChIInChI=1S/C18H30N4O3/c1-20(2)17(23)13-24-12-16-8-18(14-25-16)4-6-22(7-5-18)11-15-9-19-21(3)10-15/h9-10,16H,4-8,11-14H2,1-3H3
InChIKeyNGPHAJYBMZMPLT-UHFFFAOYSA-N
XLogP0.90
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide (CID 131663053) is N,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide is CN(C)C(=O)COCC1CC2(CCN(Cc3cnn(C)c3)CC2)CO1.
What is the InChIKey of N,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide?
The InChIKey is NGPHAJYBMZMPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-20(2)17(23)13-24-12-16-8-18(14-25-16)4-6-22(7-5-18)11-15-9-19-21(3)10-15/h9-10,16H,4-8,11-14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide?
N,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide has a molecular weight of 350.46 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide is sourced from PubChem (CID 131663053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).