(2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

C19H33FN2O2 — CID 124734462

IUPAC(2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C([C@@H](F)CC1CCCCC1)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C19H33FN2O2/c20-18(13-16-5-2-1-3-6-16)19(23)22-8-4-7-17(15-22)14-21-9-11-24-12-10-21/h16-18H,1-15H2/t17-,18+/m1/s1
InChIKeyMJJRKGQIRHVGLH-MSOLQXFVSA-N
MW340.48 g/mol
LogP2.87
Rot. Bonds5

About (2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

(2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 124734462) has the molecular formula C19H33FN2O2 and a molecular weight of 340.48 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID124734462
Molecular FormulaC19H33FN2O2
Molecular Weight340.48 g/mol
Exact Mass340.25
IUPAC Name(2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C([C@@H](F)CC1CCCCC1)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C19H33FN2O2/c20-18(13-16-5-2-1-3-6-16)19(23)22-8-4-7-17(15-22)14-21-9-11-24-12-10-21/h16-18H,1-15H2/t17-,18+/m1/s1
InChIKeyMJJRKGQIRHVGLH-MSOLQXFVSA-N
XLogP2.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (CID 124734462) is (2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is O=C([C@@H](F)CC1CCCCC1)N1CCC[C@H](CN2CCOCC2)C1.
What is the InChIKey of (2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is MJJRKGQIRHVGLH-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H33FN2O2/c20-18(13-16-5-2-1-3-6-16)19(23)22-8-4-7-17(15-22)14-21-9-11-24-12-10-21/h16-18H,1-15H2/t17-,18+/m1/s1.
What are the key properties of (2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
(2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 340.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124734462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).