N'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide

C19H29FN4O2 — CID 30620354

IUPACN'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
SMILESCN1CCN([C@@H](CNC(=O)C(=O)NC(C)(C)C)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN4O2/c1-19(2,3)22-18(26)17(25)21-13-16(14-5-7-15(20)8-6-14)24-11-9-23(4)10-12-24/h5-8,16H,9-13H2,1-4H3,(H,21,25)(H,22,26)/t16-/m0/s1
InChIKeyOWCKXFSLLHYDCL-INIZCTEOSA-N
MW364.47 g/mol
LogP1.15
Rot. Bonds4

About N'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide

N'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide (PubChem CID 30620354) has the molecular formula C19H29FN4O2 and a molecular weight of 364.47 g/mol. Its IUPAC name is N'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
PubChem CID30620354
Molecular FormulaC19H29FN4O2
Molecular Weight364.47 g/mol
Exact Mass364.23
IUPAC NameN'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
SMILESCN1CCN([C@@H](CNC(=O)C(=O)NC(C)(C)C)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN4O2/c1-19(2,3)22-18(26)17(25)21-13-16(14-5-7-15(20)8-6-14)24-11-9-23(4)10-12-24/h5-8,16H,9-13H2,1-4H3,(H,21,25)(H,22,26)/t16-/m0/s1
InChIKeyOWCKXFSLLHYDCL-INIZCTEOSA-N
XLogP1.15
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide (CID 30620354) is N'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide is CN1CCN([C@@H](CNC(=O)C(=O)NC(C)(C)C)c2ccc(F)cc2)CC1.
What is the InChIKey of N'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The InChIKey is OWCKXFSLLHYDCL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29FN4O2/c1-19(2,3)22-18(26)17(25)21-13-16(14-5-7-15(20)8-6-14)24-11-9-23(4)10-12-24/h5-8,16H,9-13H2,1-4H3,(H,21,25)(H,22,26)/t16-/m0/s1.
What are the key properties of N'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
N'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide has a molecular weight of 364.47 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide is sourced from PubChem (CID 30620354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).