2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide

C26H36N4O3 — CID 25359698

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)N[C@@H](C)[C@H](c3ccccc3)N3CCOCC3)CC2)cc1
InChIInChI=1S/C26H36N4O3/c1-21(26(22-6-4-3-5-7-22)30-16-18-33-19-17-30)27-25(31)20-28-12-14-29(15-13-28)23-8-10-24(32-2)11-9-23/h3-11,21,26H,12-20H2,1-2H3,(H,27,31)/t21-,26+/m0/s1
InChIKeyOXTUARLEGKYGKP-HFZDXXHNSA-N
MW452.60 g/mol
LogP2.40
Rot. Bonds8

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide (PubChem CID 25359698) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
PubChem CID25359698
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)N[C@@H](C)[C@H](c3ccccc3)N3CCOCC3)CC2)cc1
InChIInChI=1S/C26H36N4O3/c1-21(26(22-6-4-3-5-7-22)30-16-18-33-19-17-30)27-25(31)20-28-12-14-29(15-13-28)23-8-10-24(32-2)11-9-23/h3-11,21,26H,12-20H2,1-2H3,(H,27,31)/t21-,26+/m0/s1
InChIKeyOXTUARLEGKYGKP-HFZDXXHNSA-N
XLogP2.40
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8908520
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 8587355
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8587824
1-(4-benzhydrylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55411668
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46666038
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8555472
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 51284732
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide
CID 3302290

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide (CID 25359698) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide is COc1ccc(N2CCN(CC(=O)N[C@@H](C)[C@H](c3ccccc3)N3CCOCC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
The InChIKey is OXTUARLEGKYGKP-HFZDXXHNSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-21(26(22-6-4-3-5-7-22)30-16-18-33-19-17-30)27-25(31)20-28-12-14-29(15-13-28)23-8-10-24(32-2)11-9-23/h3-11,21,26H,12-20H2,1-2H3,(H,27,31)/t21-,26+/m0/s1.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide has a molecular weight of 452.60 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 25359698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).