2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide

C17H25FN4O3 — CID 124804004

IUPAC2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCC[C@H]1CCOC2(C1)CN(c1ncc(F)cn1)C2
InChIInChI=1S/C17H25FN4O3/c1-21(2)15(23)10-24-5-3-13-4-6-25-17(7-13)11-22(12-17)16-19-8-14(18)9-20-16/h8-9,13H,3-7,10-12H2,1-2H3/t13-/m0/s1
InChIKeyHCDPROZZFVJPRE-ZDUSSCGKSA-N
MW352.41 g/mol
LogP1.10
Rot. Bonds6

About 2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide

2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide (PubChem CID 124804004) has the molecular formula C17H25FN4O3 and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide
PubChem CID124804004
Molecular FormulaC17H25FN4O3
Molecular Weight352.41 g/mol
Exact Mass352.19
IUPAC Name2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCC[C@H]1CCOC2(C1)CN(c1ncc(F)cn1)C2
InChIInChI=1S/C17H25FN4O3/c1-21(2)15(23)10-24-5-3-13-4-6-25-17(7-13)11-22(12-17)16-19-8-14(18)9-20-16/h8-9,13H,3-7,10-12H2,1-2H3/t13-/m0/s1
InChIKeyHCDPROZZFVJPRE-ZDUSSCGKSA-N
XLogP1.10
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124781648
(8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124781649
(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124784128
(8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124784129
2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124785538
2-[[(8R)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124785539
2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone
CID 124785922
2-[2-[(8R)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone
CID 124785923
2-[2-[(8R)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide
CID 124804003
1-[[(7R)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 124806812
1-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 124806815
2-[[(8R)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
CID 124811412

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide (CID 124804004) is 2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide is CN(C)C(=O)COCC[C@H]1CCOC2(C1)CN(c1ncc(F)cn1)C2.
What is the InChIKey of 2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide?
The InChIKey is HCDPROZZFVJPRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25FN4O3/c1-21(2)15(23)10-24-5-3-13-4-6-25-17(7-13)11-22(12-17)16-19-8-14(18)9-20-16/h8-9,13H,3-7,10-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide?
2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide has a molecular weight of 352.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 124804004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).