2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone

C26H30ClFN2O5 — CID 110080455

IUPAC2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccccc1F)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C26H30ClFN2O5/c27-20-5-7-21(8-6-20)35-19-26(17-24(31)30-13-15-33-16-14-30)9-11-29(12-10-26)25(32)18-34-23-4-2-1-3-22(23)28/h1-8H,9-19H2
InChIKeyUXMMYXRRLVHPII-UHFFFAOYSA-N
MW504.99 g/mol
LogP3.79
Rot. Bonds8

About 2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone

2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 110080455) has the molecular formula C26H30ClFN2O5 and a molecular weight of 504.99 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID110080455
Molecular FormulaC26H30ClFN2O5
Molecular Weight504.99 g/mol
Exact Mass504.18
IUPAC Name2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccccc1F)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C26H30ClFN2O5/c27-20-5-7-21(8-6-20)35-19-26(17-24(31)30-13-15-33-16-14-30)9-11-29(12-10-26)25(32)18-34-23-4-2-1-3-22(23)28/h1-8H,9-19H2
InChIKeyUXMMYXRRLVHPII-UHFFFAOYSA-N
XLogP3.79
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.99
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[4-[(4-chlorophenoxy)methyl]-1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110080381
2-[(3S)-1-[2-(4-chlorophenoxy)acetyl]-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124990225
2-[1-[2-(4-chlorophenoxy)acetyl]-4-[(4-chlorophenoxy)methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 110080615
2-[4-[(4-chlorophenoxy)methyl]-1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110080097
1-[4-[(4-chlorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110080420
2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 124990759
2-[(3R)-1-benzoyl-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124946304
2-[(3S)-1-(2-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124978735
3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one
CID 155990314
2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080741
2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 125005720
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080728

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone (CID 110080455) is 2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone is O=C(COc1ccccc1F)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is UXMMYXRRLVHPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN2O5/c27-20-5-7-21(8-6-20)35-19-26(17-24(31)30-13-15-33-16-14-30)9-11-29(12-10-26)25(32)18-34-23-4-2-1-3-22(23)28/h1-8H,9-19H2.
What are the key properties of 2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 504.99 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 110080455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).