2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide

C22H33ClN4O4 — CID 132772866

IUPAC2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide
SMILESCC(C)N1CCN(CC(=O)N2CCOC(COc3ccc(Cl)cc3)(CC(N)=O)C2)CC1
InChIInChI=1S/C22H33ClN4O4/c1-17(2)26-9-7-25(8-10-26)14-21(29)27-11-12-31-22(15-27,13-20(24)28)16-30-19-5-3-18(23)4-6-19/h3-6,17H,7-16H2,1-2H3,(H2,24,28)
InChIKeySWRUQJMFRLVKSZ-UHFFFAOYSA-N
MW452.98 g/mol
LogP1.22
Rot. Bonds8

About 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide

2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide (PubChem CID 132772866) has the molecular formula C22H33ClN4O4 and a molecular weight of 452.98 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide
PubChem CID132772866
Molecular FormulaC22H33ClN4O4
Molecular Weight452.98 g/mol
Exact Mass452.22
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide
SMILESCC(C)N1CCN(CC(=O)N2CCOC(COc3ccc(Cl)cc3)(CC(N)=O)C2)CC1
InChIInChI=1S/C22H33ClN4O4/c1-17(2)26-9-7-25(8-10-26)14-21(29)27-11-12-31-22(15-27,13-20(24)28)16-30-19-5-3-18(23)4-6-19/h3-6,17H,7-16H2,1-2H3,(H2,24,28)
InChIKeySWRUQJMFRLVKSZ-UHFFFAOYSA-N
XLogP1.22
TPSA88.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.98
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide
CID 132772464
2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide
CID 132766305
2-[4-[(4-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]acetamide
CID 132776542
2-[4-[(4-chlorophenoxy)methyl]-1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110080381
2-[(2S)-2-[(4-chlorophenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]-1-piperidin-1-ylethanone
CID 125018103
2-[(2R)-4-benzyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]acetamide
CID 124960032
2-[2-[(4-chlorophenoxy)methyl]-4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 110081801
2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]acetamide
CID 124995316
2-[2-[(3-chlorophenoxy)methyl]-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]acetamide
CID 110081882
2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide
CID 132765746
2-[(2S)-2-[(4-chlorophenoxy)methyl]-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 124987794
2-[(2S)-2-[(4-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 125025465

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide (CID 132772866) is 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide is CC(C)N1CCN(CC(=O)N2CCOC(COc3ccc(Cl)cc3)(CC(N)=O)C2)CC1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide?
The InChIKey is SWRUQJMFRLVKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN4O4/c1-17(2)26-9-7-25(8-10-26)14-21(29)27-11-12-31-22(15-27,13-20(24)28)16-30-19-5-3-18(23)4-6-19/h3-6,17H,7-16H2,1-2H3,(H2,24,28).
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide?
2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide has a molecular weight of 452.98 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 132772866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).