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

C25H28Cl2N2O4 — CID 110079907

IUPAC2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1(COc2cccc(Cl)c2)CCN(C(=O)c2cccc(Cl)c2)CC1)N1CCOCC1
InChIInChI=1S/C25H28Cl2N2O4/c26-20-4-1-3-19(15-20)24(31)29-9-7-25(8-10-29,17-23(30)28-11-13-32-14-12-28)18-33-22-6-2-5-21(27)16-22/h1-6,15-16H,7-14,17-18H2
InChIKeyFTJBAJQNCYJJKF-UHFFFAOYSA-N
MW491.42 g/mol
LogP4.54
Rot. Bonds6

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

2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 110079907) has the molecular formula C25H28Cl2N2O4 and a molecular weight of 491.42 g/mol. Its IUPAC name is 2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID110079907
Molecular FormulaC25H28Cl2N2O4
Molecular Weight491.42 g/mol
Exact Mass490.14
IUPAC Name2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1(COc2cccc(Cl)c2)CCN(C(=O)c2cccc(Cl)c2)CC1)N1CCOCC1
InChIInChI=1S/C25H28Cl2N2O4/c26-20-4-1-3-19(15-20)24(31)29-9-7-25(8-10-29,17-23(30)28-11-13-32-14-12-28)18-33-22-6-2-5-21(27)16-22/h1-6,15-16H,7-14,17-18H2
InChIKeyFTJBAJQNCYJJKF-UHFFFAOYSA-N
XLogP4.54
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chlorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110079902
2-[4-[(3-chlorophenoxy)methyl]-1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110079915
2-[1-(3-chlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110081704
2-[4-[(3-chlorophenoxy)methyl]-1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110079910
2-[1-(3-chlorobenzoyl)-4-[(4-chlorophenoxy)methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 110080610
2-[4-[(3-chlorophenoxy)methyl]-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110079935
1-[4-[(3-chlorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110079921
2-[(2R)-4-(3-chlorobenzoyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 124957656
2-[4-[(3-chlorophenoxy)methyl]-1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110079815
2-[4-(1,3-benzodioxole-5-carbonyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132773928
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-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132780544

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone (CID 110079907) is 2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone is O=C(CC1(COc2cccc(Cl)c2)CCN(C(=O)c2cccc(Cl)c2)CC1)N1CCOCC1.
What is the InChIKey of 2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is FTJBAJQNCYJJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N2O4/c26-20-4-1-3-19(15-20)24(31)29-9-7-25(8-10-29,17-23(30)28-11-13-32-14-12-28)18-33-22-6-2-5-21(27)16-22/h1-6,15-16H,7-14,17-18H2.
What are the key properties of 2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 491.42 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 110079907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).