3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one

C15H23FN2O — CID 123549785

IUPAC3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one
SMILESCCCN1CC(C2=CCC(C)C=C2F)CC(N)C1=O
InChIInChI=1S/C15H23FN2O/c1-3-6-18-9-11(8-14(17)15(18)19)12-5-4-10(2)7-13(12)16/h5,7,10-11,14H,3-4,6,8-9,17H2,1-2H3
InChIKeyVBJXDFCKZCRMOX-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.39
Rot. Bonds3

About 3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one

3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one (PubChem CID 123549785) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one.

Molecular Properties

Compound Name3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one
PubChem CID123549785
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one
SMILESCCCN1CC(C2=CCC(C)C=C2F)CC(N)C1=O
InChIInChI=1S/C15H23FN2O/c1-3-6-18-9-11(8-14(17)15(18)19)12-5-4-10(2)7-13(12)16/h5,7,10-11,14H,3-4,6,8-9,17H2,1-2H3
InChIKeyVBJXDFCKZCRMOX-UHFFFAOYSA-N
XLogP2.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one?
The IUPAC name of 3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one (CID 123549785) is 3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one.
What is the SMILES notation for 3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one?
The canonical SMILES for 3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one is CCCN1CC(C2=CCC(C)C=C2F)CC(N)C1=O.
What is the InChIKey of 3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one?
The InChIKey is VBJXDFCKZCRMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-6-18-9-11(8-14(17)15(18)19)12-5-4-10(2)7-13(12)16/h5,7,10-11,14H,3-4,6,8-9,17H2,1-2H3.
What are the key properties of 3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one?
3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one has a molecular weight of 266.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one is sourced from PubChem (CID 123549785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).