4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one

C21H23F3N2O3 — CID 71770953

IUPAC4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one
SMILESCCCCCN1C(=O)COCC1c1cncc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C21H23F3N2O3/c1-2-3-4-9-26-19(13-28-14-20(26)27)17-10-16(11-25-12-17)15-5-7-18(8-6-15)29-21(22,23)24/h5-8,10-12,19H,2-4,9,13-14H2,1H3
InChIKeyMWPVORRSNNZNTI-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.74
Rot. Bonds7

About 4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one

4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one (PubChem CID 71770953) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is 4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one.

Molecular Properties

Compound Name4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one
PubChem CID71770953
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Name4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one
SMILESCCCCCN1C(=O)COCC1c1cncc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C21H23F3N2O3/c1-2-3-4-9-26-19(13-28-14-20(26)27)17-10-16(11-25-12-17)15-5-7-18(8-6-15)29-21(22,23)24/h5-8,10-12,19H,2-4,9,13-14H2,1H3
InChIKeyMWPVORRSNNZNTI-UHFFFAOYSA-N
XLogP4.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-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

N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
CID 76071870
3-(4-Methoxy-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480238
2-(4-Isopropyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 798146
2-(4-tert-pentylphenoxy)-N-(4-pyridinyl)acetamide
CID 839550
N-[4-(4-Methoxy-phenyl)-1-pyridin-3-ylmethyl-piperidin-4-yl]-acetamide
CID 6487780
N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 936563
N-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
CID 76070929
2-(4-Ethylphenoxy)-1-{4-[2-(pyridin-4-YL)ethyl]piperazin-1-YL}ethan-1-one
CID 16015732
2-Isopropyl-5-methylphenyl 2-oxo-2-{4-[2-(4-pyridinyl)ethyl]-1-piperazinyl}ethyl ether
CID 16015736
N-ethyl-N-(6-methoxy-3-pyridinyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 46883886
Ethyl 2-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methylamino)-2-oxoacetate
CID 54584799
2-Methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one
CID 56679329

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one?
The IUPAC name of 4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one (CID 71770953) is 4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one.
What is the SMILES notation for 4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one?
The canonical SMILES for 4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one is CCCCCN1C(=O)COCC1c1cncc(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one?
The InChIKey is MWPVORRSNNZNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c1-2-3-4-9-26-19(13-28-14-20(26)27)17-10-16(11-25-12-17)15-5-7-18(8-6-15)29-21(22,23)24/h5-8,10-12,19H,2-4,9,13-14H2,1H3.
What are the key properties of 4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one?
4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one has a molecular weight of 408.42 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-5-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]morpholin-3-one is sourced from PubChem (CID 71770953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).