1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one

C18H24F2N2O2 — CID 122139176

IUPAC1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one
SMILESCC(NC1CCCN(Cc2ccc(F)cc2F)C1=O)C1CCOC1
InChIInChI=1S/C18H24F2N2O2/c1-12(14-6-8-24-11-14)21-17-3-2-7-22(18(17)23)10-13-4-5-15(19)9-16(13)20/h4-5,9,12,14,17,21H,2-3,6-8,10-11H2,1H3
InChIKeyADBIUUOWBBKGQR-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.47
Rot. Bonds5

About 1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one

1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one (PubChem CID 122139176) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one
PubChem CID122139176
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one
SMILESCC(NC1CCCN(Cc2ccc(F)cc2F)C1=O)C1CCOC1
InChIInChI=1S/C18H24F2N2O2/c1-12(14-6-8-24-11-14)21-17-3-2-7-22(18(17)23)10-13-4-5-15(19)9-16(13)20/h4-5,9,12,14,17,21H,2-3,6-8,10-11H2,1H3
InChIKeyADBIUUOWBBKGQR-UHFFFAOYSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl (2S)-2-[4-[[(2S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one (CID 122139176) is 1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one is CC(NC1CCCN(Cc2ccc(F)cc2F)C1=O)C1CCOC1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one?
The InChIKey is ADBIUUOWBBKGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-12(14-6-8-24-11-14)21-17-3-2-7-22(18(17)23)10-13-4-5-15(19)9-16(13)20/h4-5,9,12,14,17,21H,2-3,6-8,10-11H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one?
1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one has a molecular weight of 338.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-[1-(oxolan-3-yl)ethylamino]piperidin-2-one is sourced from PubChem (CID 122139176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).