4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one

C17H22FN3O3 — CID 45242447

IUPAC4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one
SMILESO=C1NCCN(Cc2cccc(F)c2)C1CC(=O)N1CCCCO1
InChIInChI=1S/C17H22FN3O3/c18-14-5-3-4-13(10-14)12-20-8-6-19-17(23)15(20)11-16(22)21-7-1-2-9-24-21/h3-5,10,15H,1-2,6-9,11-12H2,(H,19,23)
InChIKeyHKDUDDWEYJHESK-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.07
Rot. Bonds4

About 4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one

4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one (PubChem CID 45242447) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one
PubChem CID45242447
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one
SMILESO=C1NCCN(Cc2cccc(F)c2)C1CC(=O)N1CCCCO1
InChIInChI=1S/C17H22FN3O3/c18-14-5-3-4-13(10-14)12-20-8-6-19-17(23)15(20)11-16(22)21-7-1-2-9-24-21/h3-5,10,15H,1-2,6-9,11-12H2,(H,19,23)
InChIKeyHKDUDDWEYJHESK-UHFFFAOYSA-N
XLogP1.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 45243475
(3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one
CID 42392537
4-[(4-methylphenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one
CID 45211142
(3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one
CID 25365013
ethyl 4-[2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
CID 45220215
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide
CID 46970496
(3R)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 42404182
3-[[2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]amino]propanamide
CID 95716172
N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95725614
(3S)-4-[(3-fluorophenyl)methyl]-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 42594951
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one (CID 45242447) is 4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one is O=C1NCCN(Cc2cccc(F)c2)C1CC(=O)N1CCCCO1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one?
The InChIKey is HKDUDDWEYJHESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-14-5-3-4-13(10-14)12-20-8-6-19-17(23)15(20)11-16(22)21-7-1-2-9-24-21/h3-5,10,15H,1-2,6-9,11-12H2,(H,19,23).
What are the key properties of 4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one?
4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one has a molecular weight of 335.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 45242447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).