2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone

C24H29ClFN3O3 — CID 124963142

IUPAC2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
SMILESO=C(C[C@]1(COc2ccc(Cl)cc2)CN(Cc2ccc(F)cn2)CCO1)N1CCCCC1
InChIInChI=1S/C24H29ClFN3O3/c25-19-4-8-22(9-5-19)31-18-24(14-23(30)29-10-2-1-3-11-29)17-28(12-13-32-24)16-21-7-6-20(26)15-27-21/h4-9,15H,1-3,10-14,16-18H2/t24-/m1/s1
InChIKeyHOBHCQFWPCJXQE-XMMPIXPASA-N
MW461.97 g/mol
LogP3.93
Rot. Bonds7

About 2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone

2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone (PubChem CID 124963142) has the molecular formula C24H29ClFN3O3 and a molecular weight of 461.97 g/mol. Its IUPAC name is 2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
PubChem CID124963142
Molecular FormulaC24H29ClFN3O3
Molecular Weight461.97 g/mol
Exact Mass461.19
IUPAC Name2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
SMILESO=C(C[C@]1(COc2ccc(Cl)cc2)CN(Cc2ccc(F)cn2)CCO1)N1CCCCC1
InChIInChI=1S/C24H29ClFN3O3/c25-19-4-8-22(9-5-19)31-18-24(14-23(30)29-10-2-1-3-11-29)17-28(12-13-32-24)16-21-7-6-20(26)15-27-21/h4-9,15H,1-3,10-14,16-18H2/t24-/m1/s1
InChIKeyHOBHCQFWPCJXQE-XMMPIXPASA-N
XLogP3.93
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[(2S)-2-[(4-chlorophenoxy)methyl]-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]-1-piperidin-1-ylethanone
CID 124990663
2-[(2S)-2-[(4-chlorophenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]-1-piperidin-1-ylethanone
CID 125018103
2-[(2R)-4-[(1-benzylpyrazol-4-yl)methyl]-2-[(4-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 124946705
2-[2-[(4-chlorophenoxy)methyl]-4-[(2,5-difluorophenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132773624
2-[2-[(4-chlorophenoxy)methyl]-4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110081835
2-[(2R)-2-[(4-fluorophenoxy)methyl]-4-[(2-methyl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 125012113
2-[2-[(4-chlorophenoxy)methyl]-4-[(5-methyl-3-pyridinyl)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110081818
2-[2-[(4-chlorophenoxy)methyl]-4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 110081801
2-[2-[(4-fluorophenoxy)methyl]-4-(pyridin-3-ylmethyl)morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110082173
2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 125025464
2-[(2S)-2-[(4-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 125025465
2-[2-[(4-fluorophenoxy)methyl]-4-[(3-hydroxyphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132772645

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone (CID 124963142) is 2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone is O=C(C[C@]1(COc2ccc(Cl)cc2)CN(Cc2ccc(F)cn2)CCO1)N1CCCCC1.
What is the InChIKey of 2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is HOBHCQFWPCJXQE-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29ClFN3O3/c25-19-4-8-22(9-5-19)31-18-24(14-23(30)29-10-2-1-3-11-29)17-28(12-13-32-24)16-21-7-6-20(26)15-27-21/h4-9,15H,1-3,10-14,16-18H2/t24-/m1/s1.
What are the key properties of 2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone?
2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 461.97 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 124963142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).