3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one

C16H21FN2O2 — CID 60964272

IUPAC3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCNC1CC1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O2/c17-13-3-1-12(2-4-13)15-11-19(9-10-21-15)16(20)7-8-18-14-5-6-14/h1-4,14-15,18H,5-11H2
InChIKeyZVJBTGRTRYNGTE-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.87
Rot. Bonds5

About 3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one

3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one (PubChem CID 60964272) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
PubChem CID60964272
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCNC1CC1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O2/c17-13-3-1-12(2-4-13)15-11-19(9-10-21-15)16(20)7-8-18-14-5-6-14/h1-4,14-15,18H,5-11H2
InChIKeyZVJBTGRTRYNGTE-UHFFFAOYSA-N
XLogP1.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]methanesulfonamide
CID 94023065
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 94432774
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 94432773
N-cyclopropyl-2-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-methylamino]acetamide
CID 87014183
4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
CID 95486481
1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
CID 112727083

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one (CID 60964272) is 3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one is O=C(CCNC1CC1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The InChIKey is ZVJBTGRTRYNGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-13-3-1-12(2-4-13)15-11-19(9-10-21-15)16(20)7-8-18-14-5-6-14/h1-4,14-15,18H,5-11H2.
What are the key properties of 3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one has a molecular weight of 292.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 60964272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).