[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone

C18H25FN2O3 — CID 167858885

IUPAC[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone
SMILESCOc1cccc(C2CCN(C(=O)C3CN(C)CCO3)CC2)c1F
InChIInChI=1S/C18H25FN2O3/c1-20-10-11-24-16(12-20)18(22)21-8-6-13(7-9-21)14-4-3-5-15(23-2)17(14)19/h3-5,13,16H,6-12H2,1-2H3
InChIKeyZXGDSWKYGSOUOW-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.87
Rot. Bonds3

About [4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone

[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone (PubChem CID 167858885) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is [4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone
PubChem CID167858885
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone
SMILESCOc1cccc(C2CCN(C(=O)C3CN(C)CCO3)CC2)c1F
InChIInChI=1S/C18H25FN2O3/c1-20-10-11-24-16(12-20)18(22)21-8-6-13(7-9-21)14-4-3-5-15(23-2)17(14)19/h3-5,13,16H,6-12H2,1-2H3
InChIKeyZXGDSWKYGSOUOW-UHFFFAOYSA-N
XLogP1.87
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone
CID 129353319
[4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 124843037
(2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone
CID 114601968
[(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 96561473
[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 129485599
(2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide
CID 97062130
[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
CID 97188979
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylmorpholin-2-yl)methanone
CID 71983879
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95174845
[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 81211064
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 110293021

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone?
The IUPAC name of [4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone (CID 167858885) is [4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone.
What is the SMILES notation for [4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone?
The canonical SMILES for [4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone is COc1cccc(C2CCN(C(=O)C3CN(C)CCO3)CC2)c1F.
What is the InChIKey of [4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone?
The InChIKey is ZXGDSWKYGSOUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-20-10-11-24-16(12-20)18(22)21-8-6-13(7-9-21)14-4-3-5-15(23-2)17(14)19/h3-5,13,16H,6-12H2,1-2H3.
What are the key properties of [4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone?
[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone has a molecular weight of 336.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone is sourced from PubChem (CID 167858885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).