(3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one

C18H22F2N2O2 — CID 124621841

IUPAC(3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one
SMILESO=C1[C@H](NC[C@H]2CCC=CO2)CCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C18H22F2N2O2/c19-14-7-6-13(16(20)10-14)12-22-8-3-5-17(18(22)23)21-11-15-4-1-2-9-24-15/h2,6-7,9-10,15,17,21H,1,3-5,8,11-12H2/t15-,17-/m1/s1
InChIKeyTZYNGPOHZDJMBL-NVXWUHKLSA-N
MW336.38 g/mol
LogP2.74
Rot. Bonds5

About (3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one

(3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one (PubChem CID 124621841) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is (3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one
PubChem CID124621841
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name(3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one
SMILESO=C1[C@H](NC[C@H]2CCC=CO2)CCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C18H22F2N2O2/c19-14-7-6-13(16(20)10-14)12-22-8-3-5-17(18(22)23)21-11-15-4-1-2-9-24-15/h2,6-7,9-10,15,17,21H,1,3-5,8,11-12H2/t15-,17-/m1/s1
InChIKeyTZYNGPOHZDJMBL-NVXWUHKLSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one?
The IUPAC name of (3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one (CID 124621841) is (3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one.
What is the SMILES notation for (3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one?
The canonical SMILES for (3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one is O=C1[C@H](NC[C@H]2CCC=CO2)CCCN1Cc1ccc(F)cc1F.
What is the InChIKey of (3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one?
The InChIKey is TZYNGPOHZDJMBL-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c19-14-7-6-13(16(20)10-14)12-22-8-3-5-17(18(22)23)21-11-15-4-1-2-9-24-15/h2,6-7,9-10,15,17,21H,1,3-5,8,11-12H2/t15-,17-/m1/s1.
What are the key properties of (3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one?
(3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one has a molecular weight of 336.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one is sourced from PubChem (CID 124621841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).