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

C21H32FN5O3 — CID 29401175

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C21H32FN5O3/c22-18-2-4-19(5-3-18)27-12-10-25(11-13-27)8-1-6-23-20(28)21(29)24-7-9-26-14-16-30-17-15-26/h2-5H,1,6-17H2,(H,23,28)(H,24,29)
InChIKeyOUJCGFIQLNRSBT-UHFFFAOYSA-N
MW421.52 g/mol
LogP-0.10
Rot. Bonds8

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

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide (PubChem CID 29401175) has the molecular formula C21H32FN5O3 and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
PubChem CID29401175
Molecular FormulaC21H32FN5O3
Molecular Weight421.52 g/mol
Exact Mass421.25
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C21H32FN5O3/c22-18-2-4-19(5-3-18)27-12-10-25(11-13-27)8-1-6-23-20(28)21(29)24-7-9-26-14-16-30-17-15-26/h2-5H,1,6-17H2,(H,23,28)(H,24,29)
InChIKeyOUJCGFIQLNRSBT-UHFFFAOYSA-N
XLogP-0.10
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108514068
N'-cyclopropyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390559
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892160
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(4-methylphenyl)oxamide
CID 42390454
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268601
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 30608981
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 34999302
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
N'-(1,3-benzodioxol-5-ylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390491

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide (CID 29401175) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide is O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NCCN1CCOCC1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is OUJCGFIQLNRSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN5O3/c22-18-2-4-19(5-3-18)27-12-10-25(11-13-27)8-1-6-23-20(28)21(29)24-7-9-26-14-16-30-17-15-26/h2-5H,1,6-17H2,(H,23,28)(H,24,29).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 421.52 g/mol, XLogP of -0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 29401175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).