[2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone

C19H27FN2O4S — CID 55996837

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H27FN2O4S/c1-2-13-27(24,25)22-10-4-3-5-17(22)19(23)21-11-12-26-18(14-21)15-6-8-16(20)9-7-15/h6-9,17-18H,2-5,10-14H2,1H3
InChIKeyVGZFGFBXRKIOHQ-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.32
Rot. Bonds5

About [2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone

[2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone (PubChem CID 55996837) has the molecular formula C19H27FN2O4S and a molecular weight of 398.50 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone
PubChem CID55996837
Molecular FormulaC19H27FN2O4S
Molecular Weight398.50 g/mol
Exact Mass398.17
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H27FN2O4S/c1-2-13-27(24,25)22-10-4-3-5-17(22)19(23)21-11-12-26-18(14-21)15-6-8-16(20)9-7-15/h6-9,17-18H,2-5,10-14H2,1H3
InChIKeyVGZFGFBXRKIOHQ-UHFFFAOYSA-N
XLogP2.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 94037830
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
1-[(2R)-2-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]butan-1-one
CID 97350029
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 94005516
[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 60963365
2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 79806023
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119112320
(2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone
CID 87046016
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120615823

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone (CID 55996837) is [2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone is CCCS(=O)(=O)N1CCCCC1C(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone?
The InChIKey is VGZFGFBXRKIOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O4S/c1-2-13-27(24,25)22-10-4-3-5-17(22)19(23)21-11-12-26-18(14-21)15-6-8-16(20)9-7-15/h6-9,17-18H,2-5,10-14H2,1H3.
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone?
[2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone has a molecular weight of 398.50 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone is sourced from PubChem (CID 55996837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).