8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C26H36N4O5 — CID 50757831

IUPAC8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)C3=C(C)C(=O)OC34CCN(C(C)=O)CC4)CC2)cc1
InChIInChI=1S/C26H36N4O5/c1-19-23(26(35-25(19)33)9-13-29(14-10-26)20(2)31)24(32)27-11-4-12-28-15-17-30(18-16-28)21-5-7-22(34-3)8-6-21/h5-8H,4,9-18H2,1-3H3,(H,27,32)
InChIKeyJSBMGUCLFKCGPU-UHFFFAOYSA-N
MW484.60 g/mol
LogP1.58
Rot. Bonds7

About 8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 50757831) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is 8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID50757831
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC Name8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)C3=C(C)C(=O)OC34CCN(C(C)=O)CC4)CC2)cc1
InChIInChI=1S/C26H36N4O5/c1-19-23(26(35-25(19)33)9-13-29(14-10-26)20(2)31)24(32)27-11-4-12-28-15-17-30(18-16-28)21-5-7-22(34-3)8-6-21/h5-8H,4,9-18H2,1-3H3,(H,27,32)
InChIKeyJSBMGUCLFKCGPU-UHFFFAOYSA-N
XLogP1.58
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)propyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20910742
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 20861483
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dimethylbenzamide
CID 42224706
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414
ethyl 4-(3-methoxypropylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 46275328
3-amino-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 35412998
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
CID 39990796
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 46328254
2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 31568257

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 50757831) is 8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is COc1ccc(N2CCN(CCCNC(=O)C3=C(C)C(=O)OC34CCN(C(C)=O)CC4)CC2)cc1.
What is the InChIKey of 8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is JSBMGUCLFKCGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-19-23(26(35-25(19)33)9-13-29(14-10-26)20(2)31)24(32)27-11-4-12-28-15-17-30(18-16-28)21-5-7-22(34-3)8-6-21/h5-8H,4,9-18H2,1-3H3,(H,27,32).
What are the key properties of 8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 50757831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).