3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C22H28FN3O4 — CID 134800449

IUPAC3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(F)cc1)N1CCCC(C(=O)N2CCC(N3CCOC3=O)CC2)C1
InChIInChI=1S/C22H28FN3O4/c23-18-5-3-16(4-6-18)14-20(27)25-9-1-2-17(15-25)21(28)24-10-7-19(8-11-24)26-12-13-30-22(26)29/h3-6,17,19H,1-2,7-15H2
InChIKeyQXYDJWMKTICMNF-UHFFFAOYSA-N
MW417.48 g/mol
LogP2.05
Rot. Bonds4

About 3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 134800449) has the molecular formula C22H28FN3O4 and a molecular weight of 417.48 g/mol. Its IUPAC name is 3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID134800449
Molecular FormulaC22H28FN3O4
Molecular Weight417.48 g/mol
Exact Mass417.21
IUPAC Name3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(F)cc1)N1CCCC(C(=O)N2CCC(N3CCOC3=O)CC2)C1
InChIInChI=1S/C22H28FN3O4/c23-18-5-3-16(4-6-18)14-20(27)25-9-1-2-17(15-25)21(28)24-10-7-19(8-11-24)26-12-13-30-22(26)29/h3-6,17,19H,1-2,7-15H2
InChIKeyQXYDJWMKTICMNF-UHFFFAOYSA-N
XLogP2.05
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-one
CID 127769925
3-[1-(1-acetylpiperidine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134797018
2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 55743877
2-(4-fluorophenyl)-1-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110893860
2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone
CID 124726986
1-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55739986
1-[3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 46546638
N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide
CID 124728676
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
1-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55787146
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
2-(4-fluorophenyl)-1-[3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 55740764

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 134800449) is 3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(Cc1ccc(F)cc1)N1CCCC(C(=O)N2CCC(N3CCOC3=O)CC2)C1.
What is the InChIKey of 3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is QXYDJWMKTICMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4/c23-18-5-3-16(4-6-18)14-20(27)25-9-1-2-17(15-25)21(28)24-10-7-19(8-11-24)26-12-13-30-22(26)29/h3-6,17,19H,1-2,7-15H2.
What are the key properties of 3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 417.48 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134800449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).