[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C17H19FN4O2 — CID 129342128

IUPAC[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCn1cnnc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CCO1
InChIInChI=1S/C17H19FN4O2/c1-21-10-19-20-16(21)15-9-22(6-7-24-15)17(23)14-8-13(14)11-2-4-12(18)5-3-11/h2-5,10,13-15H,6-9H2,1H3/t13-,14-,15-/m0/s1
InChIKeyZXLMTJIOYMDAGO-KKUMJFAQSA-N
MW330.36 g/mol
LogP1.66
Rot. Bonds3

About [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 129342128) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID129342128
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCn1cnnc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CCO1
InChIInChI=1S/C17H19FN4O2/c1-21-10-19-20-16(21)15-9-22(6-7-24-15)17(23)14-8-13(14)11-2-4-12(18)5-3-11/h2-5,10,13-15H,6-9H2,1H3/t13-,14-,15-/m0/s1
InChIKeyZXLMTJIOYMDAGO-KKUMJFAQSA-N
XLogP1.66
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluorophenyl)cyclopropyl]-(2-phenylmorpholin-4-yl)methanone
CID 134040067
(2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129329934
2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 60949473
(2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
CID 94119926
(5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128997708
(2R)-2-(3-fluorophenoxy)-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propan-1-one
CID 129338960
(2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129328732
(3S)-3-(3-fluorophenyl)-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
CID 129342102
(2S)-N-[(2-methylphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129328598
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120615823
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129329680
(4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129328081

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 129342128) is [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is Cn1cnnc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CCO1.
What is the InChIKey of [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is ZXLMTJIOYMDAGO-KKUMJFAQSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-21-10-19-20-16(21)15-9-22(6-7-24-15)17(23)14-8-13(14)11-2-4-12(18)5-3-11/h2-5,10,13-15H,6-9H2,1H3/t13-,14-,15-/m0/s1.
What are the key properties of [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 330.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129342128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).