N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide

C17H26N4O3 — CID 42390380

IUPACN'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H26N4O3/c1-18-16(22)17(23)19-8-3-9-20-10-12-21(13-11-20)14-4-6-15(24-2)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyJAEFGSIUKKJBDK-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.07
Rot. Bonds6

About N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide

N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide (PubChem CID 42390380) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
PubChem CID42390380
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H26N4O3/c1-18-16(22)17(23)19-8-3-9-20-10-12-21(13-11-20)14-4-6-15(24-2)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyJAEFGSIUKKJBDK-UHFFFAOYSA-N
XLogP0.07
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dimethylphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42390295
N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42390322
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42390316
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
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-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 42268559
3-amino-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 35412998
1-[2-(4-fluorophenyl)ethyl]-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 39977337
2-(6-chloro-3-pyridinyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 86933478
1-butyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylguanidine
CID 111151872

Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide?
The IUPAC name of N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide (CID 42390380) is N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide.
What is the SMILES notation for N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide?
The canonical SMILES for N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide is CNC(=O)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide?
The InChIKey is JAEFGSIUKKJBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-18-16(22)17(23)19-8-3-9-20-10-12-21(13-11-20)14-4-6-15(24-2)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide?
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide has a molecular weight of 334.42 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide is sourced from PubChem (CID 42390380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).