N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide

C19H29FN4O2 — CID 42390044

IUPACN'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H29FN4O2/c1-19(2,3)22-18(26)17(25)21-9-6-10-23-11-13-24(14-12-23)16-8-5-4-7-15(16)20/h4-5,7-8H,6,9-14H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyJJMPZFIGBHXQCJ-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.37
Rot. Bonds5

About N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide

N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide (PubChem CID 42390044) has the molecular formula C19H29FN4O2 and a molecular weight of 364.47 g/mol. Its IUPAC name is N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
PubChem CID42390044
Molecular FormulaC19H29FN4O2
Molecular Weight364.47 g/mol
Exact Mass364.23
IUPAC NameN'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H29FN4O2/c1-19(2,3)22-18(26)17(25)21-9-6-10-23-11-13-24(14-12-23)16-8-5-4-7-15(16)20/h4-5,7-8H,6,9-14H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyJJMPZFIGBHXQCJ-UHFFFAOYSA-N
XLogP1.37
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
N'-(2,6-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390054
N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389939
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
N'-(2-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390070
N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389873
2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224182
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108518536
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4,5-trimethoxybenzamide
CID 42224164
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(3-methylphenyl)acetamide
CID 42224298
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2H-triazole-4-carboxamide
CID 56784364
2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide
CID 166307882

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide (CID 42390044) is N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide is CC(C)(C)NC(=O)C(=O)NCCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide?
The InChIKey is JJMPZFIGBHXQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O2/c1-19(2,3)22-18(26)17(25)21-9-6-10-23-11-13-24(14-12-23)16-8-5-4-7-15(16)20/h4-5,7-8H,6,9-14H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide?
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide has a molecular weight of 364.47 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide is sourced from PubChem (CID 42390044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).