2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone

C20H21ClFNO4 — CID 90941147

IUPAC2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
SMILESCOc1cc(OCC(=O)N2CCC(Oc3ccc(F)cc3)CC2)ccc1Cl
InChIInChI=1S/C20H21ClFNO4/c1-25-19-12-17(6-7-18(19)21)26-13-20(24)23-10-8-16(9-11-23)27-15-4-2-14(22)3-5-15/h2-7,12,16H,8-11,13H2,1H3
InChIKeyMXVDXOHNHRYAKQ-UHFFFAOYSA-N
MW393.84 g/mol
LogP3.94
Rot. Bonds6

About 2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone

2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone (PubChem CID 90941147) has the molecular formula C20H21ClFNO4 and a molecular weight of 393.84 g/mol. Its IUPAC name is 2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
PubChem CID90941147
Molecular FormulaC20H21ClFNO4
Molecular Weight393.84 g/mol
Exact Mass393.11
IUPAC Name2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
SMILESCOc1cc(OCC(=O)N2CCC(Oc3ccc(F)cc3)CC2)ccc1Cl
InChIInChI=1S/C20H21ClFNO4/c1-25-19-12-17(6-7-18(19)21)26-13-20(24)23-10-8-16(9-11-23)27-15-4-2-14(22)3-5-15/h2-7,12,16H,8-11,13H2,1H3
InChIKeyMXVDXOHNHRYAKQ-UHFFFAOYSA-N
XLogP3.94
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.84
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide
CID 91537138
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
(6-chloro-7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 59367894
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
CID 3612489
2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 883850
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 112836293
5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one
CID 11711113
6-chloro-2-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-7-methoxy-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 149158612
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119661488
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone (CID 90941147) is 2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone is COc1cc(OCC(=O)N2CCC(Oc3ccc(F)cc3)CC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone?
The InChIKey is MXVDXOHNHRYAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO4/c1-25-19-12-17(6-7-18(19)21)26-13-20(24)23-10-8-16(9-11-23)27-15-4-2-14(22)3-5-15/h2-7,12,16H,8-11,13H2,1H3.
What are the key properties of 2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone?
2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone has a molecular weight of 393.84 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 90941147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).