3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one

C17H22FN3O3 — CID 110854608

IUPAC3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one
SMILESO=C(CCN1CCCOC1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H22FN3O3/c18-14-4-1-2-5-15(14)19-9-11-20(12-10-19)16(22)6-8-21-7-3-13-24-17(21)23/h1-2,4-5H,3,6-13H2
InChIKeyAKCMQRSPRYMJAD-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.71
Rot. Bonds4

About 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one

3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one (PubChem CID 110854608) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one
PubChem CID110854608
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one
SMILESO=C(CCN1CCCOC1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H22FN3O3/c18-14-4-1-2-5-15(14)19-9-11-20(12-10-19)16(22)6-8-21-7-3-13-24-17(21)23/h1-2,4-5H,3,6-13H2
InChIKeyAKCMQRSPRYMJAD-UHFFFAOYSA-N
XLogP1.71
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 18106218
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid
CID 154887572
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one
CID 84578028
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 109014531
10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one
CID 22330323
3-[(4-fluorophenyl)methylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109021197
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109029805
2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7600733
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one (CID 110854608) is 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one is O=C(CCN1CCCOC1=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one?
The InChIKey is AKCMQRSPRYMJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-14-4-1-2-5-15(14)19-9-11-20(12-10-19)16(22)6-8-21-7-3-13-24-17(21)23/h1-2,4-5H,3,6-13H2.
What are the key properties of 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one?
3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one has a molecular weight of 335.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 110854608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).