2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide

C15H18FN3O3 — CID 112991834

IUPAC2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESO=CN1CCN(C(=O)CNC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H18FN3O3/c16-13-4-2-1-3-12(13)9-14(21)17-10-15(22)19-7-5-18(11-20)6-8-19/h1-4,11H,5-10H2,(H,17,21)
InChIKeyDDMIPZNGKMWABS-UHFFFAOYSA-N
MW307.32 g/mol
LogP-0.22
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide

2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 112991834) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID112991834
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESO=CN1CCN(C(=O)CNC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H18FN3O3/c16-13-4-2-1-3-12(13)9-14(21)17-10-15(22)19-7-5-18(11-20)6-8-19/h1-4,11H,5-10H2,(H,17,21)
InChIKeyDDMIPZNGKMWABS-UHFFFAOYSA-N
XLogP-0.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 112994571
3-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 110712379
N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944765
N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096898
2-bromo-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 112991795
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993727
2-[[2-(2-fluorophenyl)acetyl]amino]acetic acid
CID 16785853
N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide
CID 108995730
2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 6460181
2-(2-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712323
2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 112990865
1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
CID 108997532

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 112991834) is 2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide is O=CN1CCN(C(=O)CNC(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is DDMIPZNGKMWABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c16-13-4-2-1-3-12(13)9-14(21)17-10-15(22)19-7-5-18(11-20)6-8-19/h1-4,11H,5-10H2,(H,17,21).
What are the key properties of 2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 307.32 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 112991834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).