N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide

C19H19FN4O3 — CID 113097654

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide
SMILESO=C(NCC(=O)N1CCN(c2ccccc2F)CC1)C(=O)c1cccnc1
InChIInChI=1S/C19H19FN4O3/c20-15-5-1-2-6-16(15)23-8-10-24(11-9-23)17(25)13-22-19(27)18(26)14-4-3-7-21-12-14/h1-7,12H,8-11,13H2,(H,22,27)
InChIKeyILMMWTQNYJKJME-UHFFFAOYSA-N
MW370.38 g/mol
LogP0.87
Rot. Bonds5

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide (PubChem CID 113097654) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide
PubChem CID113097654
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide
SMILESO=C(NCC(=O)N1CCN(c2ccccc2F)CC1)C(=O)c1cccnc1
InChIInChI=1S/C19H19FN4O3/c20-15-5-1-2-6-16(15)23-8-10-24(11-9-23)17(25)13-22-19(27)18(26)14-4-3-7-21-12-14/h1-7,12H,8-11,13H2,(H,22,27)
InChIKeyILMMWTQNYJKJME-UHFFFAOYSA-N
XLogP0.87
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide
CID 113097945
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide
CID 113097646
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 45370048
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 42156451
2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 6460181
4-fluoro-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
CID 94793640
benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 16748952
5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 95807304
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2,3,4-trifluoroanilino)ethanone
CID 109004504
2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826997

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide (CID 113097654) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide is O=C(NCC(=O)N1CCN(c2ccccc2F)CC1)C(=O)c1cccnc1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide?
The InChIKey is ILMMWTQNYJKJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c20-15-5-1-2-6-16(15)23-8-10-24(11-9-23)17(25)13-22-19(27)18(26)14-4-3-7-21-12-14/h1-7,12H,8-11,13H2,(H,22,27).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide has a molecular weight of 370.38 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide is sourced from PubChem (CID 113097654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).