N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide

C23H29ClN4O3 — CID 42389794

IUPACN-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H29ClN4O3/c1-2-31-21-10-6-19(7-11-21)26-23(30)22(29)25-12-3-13-27-14-16-28(17-15-27)20-8-4-18(24)5-9-20/h4-11H,2-3,12-17H2,1H3,(H,25,29)(H,26,30)
InChIKeyKXAUNWJAKZZIBL-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.01
Rot. Bonds8

About N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide

N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide (PubChem CID 42389794) has the molecular formula C23H29ClN4O3 and a molecular weight of 444.96 g/mol. Its IUPAC name is N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide
PubChem CID42389794
Molecular FormulaC23H29ClN4O3
Molecular Weight444.96 g/mol
Exact Mass444.19
IUPAC NameN-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H29ClN4O3/c1-2-31-21-10-6-19(7-11-21)26-23(30)22(29)25-12-3-13-27-14-16-28(17-15-27)20-8-4-18(24)5-9-20/h4-11H,2-3,12-17H2,1H3,(H,25,29)(H,26,30)
InChIKeyKXAUNWJAKZZIBL-UHFFFAOYSA-N
XLogP3.01
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
N'-(3-chloro-4-fluorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389821
N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389873
N'-(1,3-benzodioxol-5-yl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389792
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-methoxyphenyl)oxamide
CID 42389893
N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891570
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(4-methylphenyl)oxamide
CID 42390454
N'-(3,5-dimethylphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42390295
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389939
N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide
CID 6737810

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide?
The IUPAC name of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide (CID 42389794) is N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide?
The InChIKey is KXAUNWJAKZZIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3/c1-2-31-21-10-6-19(7-11-21)26-23(30)22(29)25-12-3-13-27-14-16-28(17-15-27)20-8-4-18(24)5-9-20/h4-11H,2-3,12-17H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide?
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide has a molecular weight of 444.96 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 42389794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).