[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone

C22H26FN3O2 — CID 42286883

IUPAC[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1N1CCOCC1)N1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C22H26FN3O2/c23-17-7-9-18(10-8-17)24-19-4-3-11-26(16-19)22(27)20-5-1-2-6-21(20)25-12-14-28-15-13-25/h1-2,5-10,19,24H,3-4,11-16H2/t19-/m0/s1
InChIKeyYMHBRUJQCYSUKG-IBGZPJMESA-N
MW383.47 g/mol
LogP3.38
Rot. Bonds4

About [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone

[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone (PubChem CID 42286883) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
PubChem CID42286883
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1N1CCOCC1)N1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C22H26FN3O2/c23-17-7-9-18(10-8-17)24-19-4-3-11-26(16-19)22(27)20-5-1-2-6-21(20)25-12-14-28-15-13-25/h1-2,5-10,19,24H,3-4,11-16H2/t19-/m0/s1
InChIKeyYMHBRUJQCYSUKG-IBGZPJMESA-N
XLogP3.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The IUPAC name of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone (CID 42286883) is [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone is O=C(c1ccccc1N1CCOCC1)N1CCC[C@H](Nc2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The InChIKey is YMHBRUJQCYSUKG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-17-7-9-18(10-8-17)24-19-4-3-11-26(16-19)22(27)20-5-1-2-6-21(20)25-12-14-28-15-13-25/h1-2,5-10,19,24H,3-4,11-16H2/t19-/m0/s1.
What are the key properties of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone has a molecular weight of 383.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 42286883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).