5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one

C14H18F2N2O — CID 106534346

IUPAC5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1C(=O)CCC(N)C1c1cc(F)cc(F)c1
InChIInChI=1S/C14H18F2N2O/c1-8(2)18-13(19)4-3-12(17)14(18)9-5-10(15)7-11(16)6-9/h5-8,12,14H,3-4,17H2,1-2H3
InChIKeyBXMLPMWGDRCIID-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.36
Rot. Bonds2

About 5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one

5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one (PubChem CID 106534346) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one
PubChem CID106534346
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1C(=O)CCC(N)C1c1cc(F)cc(F)c1
InChIInChI=1S/C14H18F2N2O/c1-8(2)18-13(19)4-3-12(17)14(18)9-5-10(15)7-11(16)6-9/h5-8,12,14H,3-4,17H2,1-2H3
InChIKeyBXMLPMWGDRCIID-UHFFFAOYSA-N
XLogP2.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-7-(3-chloro-5-fluorophenyl)-1-propan-2-ylazepan-2-one
CID 114454804
5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile
CID 107936927
5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one
CID 104823745
5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one
CID 114454794
(4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one
CID 95359014
4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one
CID 106534351
6-amino-7-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-2-one
CID 66116437
2-(3-chloro-4-fluorophenyl)-6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid
CID 81160397
(4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
CID 178196683
4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one
CID 113469903
4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 106534355
6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one
CID 115529149

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one (CID 106534346) is 5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one is CC(C)N1C(=O)CCC(N)C1c1cc(F)cc(F)c1.
What is the InChIKey of 5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one?
The InChIKey is BXMLPMWGDRCIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-8(2)18-13(19)4-3-12(17)14(18)9-5-10(15)7-11(16)6-9/h5-8,12,14H,3-4,17H2,1-2H3.
What are the key properties of 5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one?
5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one has a molecular weight of 268.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 106534346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).