1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone

C26H33N3O5 — CID 129455963

IUPAC1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone
SMILESCOc1ccc([C@H]2CN(C(=O)c3ccccc3OCCN3CCOCC3)CCN2C(C)=O)cc1
InChIInChI=1S/C26H33N3O5/c1-20(30)29-12-11-28(19-24(29)21-7-9-22(32-2)10-8-21)26(31)23-5-3-4-6-25(23)34-18-15-27-13-16-33-17-14-27/h3-10,24H,11-19H2,1-2H3/t24-/m1/s1
InChIKeyKCLIZDWGSNZVAX-XMMPIXPASA-N
MW467.57 g/mol
LogP2.45
Rot. Bonds7

About 1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone

1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone (PubChem CID 129455963) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone
PubChem CID129455963
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone
SMILESCOc1ccc([C@H]2CN(C(=O)c3ccccc3OCCN3CCOCC3)CCN2C(C)=O)cc1
InChIInChI=1S/C26H33N3O5/c1-20(30)29-12-11-28(19-24(29)21-7-9-22(32-2)10-8-21)26(31)23-5-3-4-6-25(23)34-18-15-27-13-16-33-17-14-27/h3-10,24H,11-19H2,1-2H3/t24-/m1/s1
InChIKeyKCLIZDWGSNZVAX-XMMPIXPASA-N
XLogP2.45
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone
CID 129454849
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 110109594
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
(E)-1-(2-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19567083
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 70778526
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480
2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid
CID 20993638
1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129458268
1-[(2S)-2-(2-methoxyphenyl)-4-[4-(4-methoxyphenyl)oxane-4-carbonyl]piperazin-1-yl]ethanone
CID 129460072

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone (CID 129455963) is 1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone is COc1ccc([C@H]2CN(C(=O)c3ccccc3OCCN3CCOCC3)CCN2C(C)=O)cc1.
What is the InChIKey of 1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is KCLIZDWGSNZVAX-XMMPIXPASA-N. The full InChI is InChI=1S/C26H33N3O5/c1-20(30)29-12-11-28(19-24(29)21-7-9-22(32-2)10-8-21)26(31)23-5-3-4-6-25(23)34-18-15-27-13-16-33-17-14-27/h3-10,24H,11-19H2,1-2H3/t24-/m1/s1.
What are the key properties of 1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone?
1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 467.57 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 129455963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).