N-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide

C19H27FN2O3 — CID 97484063

IUPACN-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1COCCC12CCN(Cc1ccccc1F)CC2
InChIInChI=1S/C19H27FN2O3/c1-24-14-18(23)21-17-13-25-11-8-19(17)6-9-22(10-7-19)12-15-4-2-3-5-16(15)20/h2-5,17H,6-14H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyWSFAQWHEQCZOJG-KRWDZBQOSA-N
MW350.43 g/mol
LogP1.96
Rot. Bonds5

About N-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide

N-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide (PubChem CID 97484063) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide
PubChem CID97484063
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC NameN-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1COCCC12CCN(Cc1ccccc1F)CC2
InChIInChI=1S/C19H27FN2O3/c1-24-14-18(23)21-17-13-25-11-8-19(17)6-9-22(10-7-19)12-15-4-2-3-5-16(15)20/h2-5,17H,6-14H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyWSFAQWHEQCZOJG-KRWDZBQOSA-N
XLogP1.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 4884814
US10927128, Example 69
CID 135374765
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide
CID 24793084
N-(9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-2-methoxy-acetamide
CID 652397
US10421750, Example 27
CID 129053741
US10421750, Example 29
CID 129053743
US10421750, Example 30
CID 129053771
US10421750, Example 28
CID 129053831
US10927128, Example 99
CID 135374962
4-(2-Methoxy-acetylamino)-piperidine-1-carboxylic acid benzylamide
CID 654664
1-(2-Benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone
CID 3233655
1-(9-Benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide?
The IUPAC name of N-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide (CID 97484063) is N-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide is COCC(=O)N[C@H]1COCCC12CCN(Cc1ccccc1F)CC2.
What is the InChIKey of N-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide?
The InChIKey is WSFAQWHEQCZOJG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-24-14-18(23)21-17-13-25-11-8-19(17)6-9-22(10-7-19)12-15-4-2-3-5-16(15)20/h2-5,17H,6-14H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide?
N-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide has a molecular weight of 350.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide is sourced from PubChem (CID 97484063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).