2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone

C25H29ClN2O4 — CID 110081344

IUPAC2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
SMILESO=C(CC1(COc2cccc(Cl)c2)CN(C(=O)c2ccccc2)CCO1)N1CCCCC1
InChIInChI=1S/C25H29ClN2O4/c26-21-10-7-11-22(16-21)31-19-25(17-23(29)27-12-5-2-6-13-27)18-28(14-15-32-25)24(30)20-8-3-1-4-9-20/h1,3-4,7-11,16H,2,5-6,12-15,17-19H2
InChIKeyAFKCSIVXROLJBI-UHFFFAOYSA-N
MW456.97 g/mol
LogP4.03
Rot. Bonds6

About 2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone

2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone (PubChem CID 110081344) has the molecular formula C25H29ClN2O4 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
PubChem CID110081344
Molecular FormulaC25H29ClN2O4
Molecular Weight456.97 g/mol
Exact Mass456.18
IUPAC Name2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
SMILESO=C(CC1(COc2cccc(Cl)c2)CN(C(=O)c2ccccc2)CCO1)N1CCCCC1
InChIInChI=1S/C25H29ClN2O4/c26-21-10-7-11-22(16-21)31-19-25(17-23(29)27-12-5-2-6-13-27)18-28(14-15-32-25)24(30)20-8-3-1-4-9-20/h1,3-4,7-11,16H,2,5-6,12-15,17-19H2
InChIKeyAFKCSIVXROLJBI-UHFFFAOYSA-N
XLogP4.03
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-(4-tert-butylbenzoyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 125008068
2-[(2R)-4-(4-tert-butylbenzoyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 125008067
2-[4-(2-bromobenzoyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 110081338
2-[4-benzoyl-2-[(4-chloro-3-methylphenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 132767864
2-[(2R)-4-(3-chlorobenzoyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 124957656
(2S)-1-[(2S)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-phenylbutan-1-one
CID 124974237
2-(2-bromophenyl)-1-[2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]ethanone
CID 110081335
2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132780544
1-[2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]pentan-1-one
CID 110081354
1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 124975511
2-[2-[(3-chlorophenoxy)methyl]-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132773124
2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132774191

Frequently Asked Questions

What is the IUPAC name of 2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone (CID 110081344) is 2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone is O=C(CC1(COc2cccc(Cl)c2)CN(C(=O)c2ccccc2)CCO1)N1CCCCC1.
What is the InChIKey of 2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is AFKCSIVXROLJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O4/c26-21-10-7-11-22(16-21)31-19-25(17-23(29)27-12-5-2-6-13-27)18-28(14-15-32-25)24(30)20-8-3-1-4-9-20/h1,3-4,7-11,16H,2,5-6,12-15,17-19H2.
What are the key properties of 2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone?
2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 456.97 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 110081344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).