N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide

C17H23FN4O3 — CID 113097711

IUPACN-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCC(=O)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C17H23FN4O3/c1-12(2)20-17(25)16(24)19-11-15(23)22-8-6-21(7-9-22)14-5-3-4-13(18)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyKWXGYGXZQQHEKI-UHFFFAOYSA-N
MW350.39 g/mol
LogP0.12
Rot. Bonds4

About N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide

N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide (PubChem CID 113097711) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide
PubChem CID113097711
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC NameN-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCC(=O)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C17H23FN4O3/c1-12(2)20-17(25)16(24)19-11-15(23)22-8-6-21(7-9-22)14-5-3-4-13(18)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyKWXGYGXZQQHEKI-UHFFFAOYSA-N
XLogP0.12
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110869101
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
CID 113097715
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-4-phenylbutanamide
CID 113097698
1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 112994427
2-chloro-1-[4-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 43822500
2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994419
2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004075
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-2-oxobutanamide
CID 113097898
1-[(3-fluorophenyl)methyl]-2-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 111875949
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499
8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide
CID 10126038

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide (CID 113097711) is N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCC(=O)N1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide?
The InChIKey is KWXGYGXZQQHEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3/c1-12(2)20-17(25)16(24)19-11-15(23)22-8-6-21(7-9-22)14-5-3-4-13(18)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide?
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide has a molecular weight of 350.39 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 113097711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).