3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one

C22H29FN2O3 — CID 90042951

IUPAC3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(OC2CCN(C3CCC3)CC2)cc1F)N1CCOCC1
InChIInChI=1S/C22H29FN2O3/c23-21-16-20(28-19-8-10-24(11-9-19)18-2-1-3-18)6-4-17(21)5-7-22(26)25-12-14-27-15-13-25/h4-7,16,18-19H,1-3,8-15H2
InChIKeyFPWZSJKNVIUCFM-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.09
Rot. Bonds5

About 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one

3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 90042951) has the molecular formula C22H29FN2O3 and a molecular weight of 388.48 g/mol. Its IUPAC name is 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one
PubChem CID90042951
Molecular FormulaC22H29FN2O3
Molecular Weight388.48 g/mol
Exact Mass388.22
IUPAC Name3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(OC2CCN(C3CCC3)CC2)cc1F)N1CCOCC1
InChIInChI=1S/C22H29FN2O3/c23-21-16-20(28-19-8-10-24(11-9-19)18-2-1-3-18)6-4-17(21)5-7-22(26)25-12-14-27-15-13-25/h4-7,16,18-19H,1-3,8-15H2
InChIKeyFPWZSJKNVIUCFM-UHFFFAOYSA-N
XLogP3.09
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 90042280
3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one
CID 90042227
[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 11441745
[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone
CID 68578403
(E)-1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-(3-fluorophenyl)prop-2-en-1-one
CID 84563478
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 91413237
(E)-1-(4-cyclobutyl-1,4-diazepan-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 131702219
(E)-1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-(4-propoxyphenyl)prop-2-en-1-one
CID 84561806
(E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one
CID 73295363
4-[3-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-2,3-bis(trifluoromethyl)phenyl]sulfanylphenoxy]cyclohexane-1-carboxylic acid
CID 11621362
(E)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 60703625

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one (CID 90042951) is 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one is O=C(C=Cc1ccc(OC2CCN(C3CCC3)CC2)cc1F)N1CCOCC1.
What is the InChIKey of 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is FPWZSJKNVIUCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3/c23-21-16-20(28-19-8-10-24(11-9-19)18-2-1-3-18)6-4-17(21)5-7-22(26)25-12-14-27-15-13-25/h4-7,16,18-19H,1-3,8-15H2.
What are the key properties of 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one?
3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 388.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 90042951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).