3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one

C18H25FN2O2 — CID 56793687

IUPAC3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC1CC(c2ccc(F)cc2)CN1CCC(=O)N1CCOCC1
InChIInChI=1S/C18H25FN2O2/c1-14-12-16(15-2-4-17(19)5-3-15)13-21(14)7-6-18(22)20-8-10-23-11-9-20/h2-5,14,16H,6-13H2,1H3
InChIKeyQBXPOMIWPRXXHL-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.25
Rot. Bonds4

About 3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one

3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 56793687) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID56793687
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC1CC(c2ccc(F)cc2)CN1CCC(=O)N1CCOCC1
InChIInChI=1S/C18H25FN2O2/c1-14-12-16(15-2-4-17(19)5-3-15)13-21(14)7-6-18(22)20-8-10-23-11-9-20/h2-5,14,16H,6-13H2,1H3
InChIKeyQBXPOMIWPRXXHL-UHFFFAOYSA-N
XLogP2.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-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

3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 129346026
3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981772
3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 96519422
3-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 129350156
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95894518
3-[(3R)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 96837490
2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574
3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 99106789
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 18208683
2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid
CID 99777227
1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 43793076
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 56793687) is 3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is CC1CC(c2ccc(F)cc2)CN1CCC(=O)N1CCOCC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is QBXPOMIWPRXXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-14-12-16(15-2-4-17(19)5-3-15)13-21(14)7-6-18(22)20-8-10-23-11-9-20/h2-5,14,16H,6-13H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 320.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 56793687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).