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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)piperidin-1-yl]-3-methyl-2-(3-methylbutylamino)butan-1-one
CID 58457839
N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-3-methylbutanamide
CID 58458028
(2S)-3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,2-dimethyl-N-piperidin-4-ylpropanamide
CID 70870290
3-Ethyl-1-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]piperidin-2-one
CID 89546591
6-[4-(5-Fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one
CID 91601101
3-Amino-6-methyl-5-(2,5,6-trifluorocyclohepta-1,3,5-trien-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 123663470
3-Amino-6-methyl-5-(1-methylcyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 124022450
(3S,5S)-3-amino-5-[(3E,5Z)-3-fluorohepta-1,3,5-trien-2-yl]-1-(2-methylpropyl)piperidin-2-one
CID 126545846
(3S,5S,6R)-3-amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,5-trifluoro-1-methylcyclohexa-2,4-dien-1-yl)piperidin-2-one
CID 134491125
(3S,5S,6R)-3-amino-6-methyl-5-(1-methylcyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 134491133
(3S,5S,6R)-3-amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-[(3Z,5E)-3,4,6-trifluorohepta-1,3,5-trien-2-yl]piperidin-2-one
CID 139483884
(3S,5S,6R)-3-amino-5-[(3E,5Z)-4-fluoro-3-methylhepta-1,3,5-trien-2-yl]-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 139483887

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).