3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one

C11H16F2N2O3 — CID 74227553

IUPAC3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(C2CCN(C(=O)C(F)F)CC2)C(=O)O1
InChIInChI=1S/C11H16F2N2O3/c1-7-6-15(11(17)18-7)8-2-4-14(5-3-8)10(16)9(12)13/h7-9H,2-6H2,1H3
InChIKeyGPIWJGRRBAHDHT-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.08
Rot. Bonds2

About 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one

3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 74227553) has the molecular formula C11H16F2N2O3 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID74227553
Molecular FormulaC11H16F2N2O3
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(C2CCN(C(=O)C(F)F)CC2)C(=O)O1
InChIInChI=1S/C11H16F2N2O3/c1-7-6-15(11(17)18-7)8-2-4-14(5-3-8)10(16)9(12)13/h7-9H,2-6H2,1H3
InChIKeyGPIWJGRRBAHDHT-UHFFFAOYSA-N
XLogP1.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxazolidinone, 5-(1-piperidinylmethyl)-3-propyl-, monohydrobromide
CID 3040557
2,2,2-Trifluoroethyl 2-[(morpholin-4-yl)methyl]pyrrolidine-1-carboxylate
CID 54593150
4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-acetyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494008
4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-ethyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494009
4-[2-Methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 87801073
1-[(4S,5R)-5-ethyl-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]-2,2-difluoroethanone
CID 145636244
3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one
CID 167334980
3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one
CID 167334981
3-[(3R)-1-ethyl-4,4-difluoropiperidin-3-yl]-1,3-oxazolidin-2-one
CID 169578125
(1-Ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane
CID 170606916
(4,4-Difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate
CID 170606932
5-(Piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one
CID 3040558

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one (CID 74227553) is 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one is CC1CN(C2CCN(C(=O)C(F)F)CC2)C(=O)O1.
What is the InChIKey of 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is GPIWJGRRBAHDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O3/c1-7-6-15(11(17)18-7)8-2-4-14(5-3-8)10(16)9(12)13/h7-9H,2-6H2,1H3.
What are the key properties of 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 262.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 74227553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).