12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

C19H25FN2O2 — CID 135332796

IUPAC12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCCN1CC2(CCN(Cc3cccc(F)c3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C19H25FN2O2/c1-2-22-14-18(24-19(6-7-19)17(22)23)8-10-21(11-9-18)13-15-4-3-5-16(20)12-15/h3-5,12H,2,6-11,13-14H2,1H3
InChIKeyMDGMNIKPWJJRMQ-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.57
Rot. Bonds3

About 12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (PubChem CID 135332796) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.

Molecular Properties

Compound Name12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
PubChem CID135332796
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCCN1CC2(CCN(Cc3cccc(F)c3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C19H25FN2O2/c1-2-22-14-18(24-19(6-7-19)17(22)23)8-10-21(11-9-18)13-15-4-3-5-16(20)12-15/h3-5,12H,2,6-11,13-14H2,1H3
InChIKeyMDGMNIKPWJJRMQ-UHFFFAOYSA-N
XLogP2.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The IUPAC name of 12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (CID 135332796) is 12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.
What is the SMILES notation for 12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The canonical SMILES for 12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is CCN1CC2(CCN(Cc3cccc(F)c3)CC2)OC2(CC2)C1=O.
What is the InChIKey of 12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The InChIKey is MDGMNIKPWJJRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-2-22-14-18(24-19(6-7-19)17(22)23)8-10-21(11-9-18)13-15-4-3-5-16(20)12-15/h3-5,12H,2,6-11,13-14H2,1H3.
What are the key properties of 12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one has a molecular weight of 332.42 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-8-[(3-fluorophenyl)methyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is sourced from PubChem (CID 135332796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).