3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one

C16H23FN2O2 — CID 163539807

IUPAC3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one
SMILESCCCN1C(CC)C(=O)CC(O)N1Cc1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-3-8-18-14(4-2)15(20)10-16(21)19(18)11-12-6-5-7-13(17)9-12/h5-7,9,14,16,21H,3-4,8,10-11H2,1-2H3
InChIKeyFADSGPLTRMVZSO-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.32
Rot. Bonds5

About 3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one

3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one (PubChem CID 163539807) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one.

Molecular Properties

Compound Name3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one
PubChem CID163539807
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one
SMILESCCCN1C(CC)C(=O)CC(O)N1Cc1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-3-8-18-14(4-2)15(20)10-16(21)19(18)11-12-6-5-7-13(17)9-12/h5-7,9,14,16,21H,3-4,8,10-11H2,1-2H3
InChIKeyFADSGPLTRMVZSO-UHFFFAOYSA-N
XLogP2.32
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-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

5-(4-Fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one
CID 67739998
1-[(3-Fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one
CID 163821377
(2S,5R)-2-(dibenzylamino)-5-hydroxyhept-6-en-3-one
CID 10892663
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4-methylheptan-3-one
CID 11233077
(2S,4R,5S)-2-(dibenzylamino)-5-hydroxy-4-methylheptan-3-one
CID 11244695
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4-methylhexan-3-one
CID 12079414
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4,6-dimethylheptan-3-one
CID 12079415
(2S,5R)-2-(dibenzylamino)-5-hydroxy-6-methylheptan-3-one
CID 14945378
(2S,4R,5S)-2-(dibenzylamino)-5-hydroxy-4,6-dimethylheptan-3-one
CID 101151802
(2S,3S,5S)-5-(dibenzylamino)-2-hydroxy-3,6-dimethylheptan-4-one
CID 134904473
(2S,5S)-2-(dibenzylamino)-5-hydroxyhept-6-en-3-one
CID 134905259
(2S,5S)-2-(dibenzylamino)-5-hydroxy-6-methylheptan-3-one
CID 134907839

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one?
The IUPAC name of 3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one (CID 163539807) is 3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one.
What is the SMILES notation for 3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one?
The canonical SMILES for 3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one is CCCN1C(CC)C(=O)CC(O)N1Cc1cccc(F)c1.
What is the InChIKey of 3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one?
The InChIKey is FADSGPLTRMVZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-8-18-14(4-2)15(20)10-16(21)19(18)11-12-6-5-7-13(17)9-12/h5-7,9,14,16,21H,3-4,8,10-11H2,1-2H3.
What are the key properties of 3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one?
3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one has a molecular weight of 294.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one is sourced from PubChem (CID 163539807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).