N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide

C14H16FN3O3 — CID 108944765

IUPACN-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
SMILESO=CN1CCN(C(=O)CC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C14H16FN3O3/c15-11-3-1-2-4-12(11)16-13(20)9-14(21)18-7-5-17(10-19)6-8-18/h1-4,10H,5-9H2,(H,16,20)
InChIKeyVSYOCWSBEPRKAS-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.45
Rot. Bonds4

About N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide

N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide (PubChem CID 108944765) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
PubChem CID108944765
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC NameN-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
SMILESO=CN1CCN(C(=O)CC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C14H16FN3O3/c15-11-3-1-2-4-12(11)16-13(20)9-14(21)18-7-5-17(10-19)6-8-18/h1-4,10H,5-9H2,(H,16,20)
InChIKeyVSYOCWSBEPRKAS-UHFFFAOYSA-N
XLogP0.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942414
N-(2,3-dimethylphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944753
2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 112991834
N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950699
N-(5-chloro-2-methoxyphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944777
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950686
N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950727
N-(4-ethylphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944755
N-(4-tert-butylphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944764
N-(2,3-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950685
3-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)-3-oxopropanamide
CID 108945020
N'-(2-fluorophenyl)propanediamide
CID 70002209

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide?
The IUPAC name of N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide (CID 108944765) is N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide is O=CN1CCN(C(=O)CC(=O)Nc2ccccc2F)CC1.
What is the InChIKey of N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide?
The InChIKey is VSYOCWSBEPRKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c15-11-3-1-2-4-12(11)16-13(20)9-14(21)18-7-5-17(10-19)6-8-18/h1-4,10H,5-9H2,(H,16,20).
What are the key properties of N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide?
N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide has a molecular weight of 293.30 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108944765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).