6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide

C15H23FN2O2 — CID 163601672

IUPAC6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCC1C=C(F)C(C(=O)NCCCN2CCOCC2)=CC1
InChIInChI=1S/C15H23FN2O2/c1-12-3-4-13(14(16)11-12)15(19)17-5-2-6-18-7-9-20-10-8-18/h4,11-12H,2-3,5-10H2,1H3,(H,17,19)
InChIKeyGYEMWBYCYFZQNQ-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.64
Rot. Bonds5

About 6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide

6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 163601672) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID163601672
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCC1C=C(F)C(C(=O)NCCCN2CCOCC2)=CC1
InChIInChI=1S/C15H23FN2O2/c1-12-3-4-13(14(16)11-12)15(19)17-5-2-6-18-7-9-20-10-8-18/h4,11-12H,2-3,5-10H2,1H3,(H,17,19)
InChIKeyGYEMWBYCYFZQNQ-UHFFFAOYSA-N
XLogP1.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Hydroxy-N-(3-morpholinopropyl)nicotinamide
CID 43091005
1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 74239871
(3Z)-N-[2-(1,1-difluoroethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747832
(4-Amino-3,5-difluorocyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone
CID 163509670
5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 176950730
N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 67961870
(4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 71170886
(Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide
CID 88899306
N-(2-methoxyethyl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 89337160
2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide
CID 91111467
(4-Methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone
CID 123549696
N-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen
CID 143483668

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide (CID 163601672) is 6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide is CC1C=C(F)C(C(=O)NCCCN2CCOCC2)=CC1.
What is the InChIKey of 6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is GYEMWBYCYFZQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-12-3-4-13(14(16)11-12)15(19)17-5-2-6-18-7-9-20-10-8-18/h4,11-12H,2-3,5-10H2,1H3,(H,17,19).
What are the key properties of 6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide?
6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 163601672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).