3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one

C18H24F2N2O2 — CID 45248885

IUPAC3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(Cc2cccc(F)c2F)CCCC1(O)CNC1CCCC1
InChIInChI=1S/C18H24F2N2O2/c19-15-8-3-5-13(16(15)20)11-22-10-4-9-18(24,17(22)23)12-21-14-6-1-2-7-14/h3,5,8,14,21,24H,1-2,4,6-7,9-12H2
InChIKeyFXVJYQJHJAJVPL-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.35
Rot. Bonds5

About 3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one

3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one (PubChem CID 45248885) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
PubChem CID45248885
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(Cc2cccc(F)c2F)CCCC1(O)CNC1CCCC1
InChIInChI=1S/C18H24F2N2O2/c19-15-8-3-5-13(16(15)20)11-22-10-4-9-18(24,17(22)23)12-21-14-6-1-2-7-14/h3,5,8,14,21,24H,1-2,4,6-7,9-12H2
InChIKeyFXVJYQJHJAJVPL-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one (CID 45248885) is 3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one is O=C1N(Cc2cccc(F)c2F)CCCC1(O)CNC1CCCC1.
What is the InChIKey of 3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The InChIKey is FXVJYQJHJAJVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c19-15-8-3-5-13(16(15)20)11-22-10-4-9-18(24,17(22)23)12-21-14-6-1-2-7-14/h3,5,8,14,21,24H,1-2,4,6-7,9-12H2.
What are the key properties of 3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one?
3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one has a molecular weight of 338.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentylamino)methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 45248885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).