N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide

C16H23F2N3O2 — CID 146401898

IUPACN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide
SMILESCc1cccnc1OCC(F)(F)C(=O)N[C@@H]1CCN(C)[C@H](C)C1
InChIInChI=1S/C16H23F2N3O2/c1-11-5-4-7-19-14(11)23-10-16(17,18)15(22)20-13-6-8-21(3)12(2)9-13/h4-5,7,12-13H,6,8-10H2,1-3H3,(H,20,22)/t12-,13-/m1/s1
InChIKeyIFBYDYIQLSYQFB-CHWSQXEVSA-N
MW327.38 g/mol
LogP2.00
Rot. Bonds5

About N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide

N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide (PubChem CID 146401898) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide
PubChem CID146401898
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC NameN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide
SMILESCc1cccnc1OCC(F)(F)C(=O)N[C@@H]1CCN(C)[C@H](C)C1
InChIInChI=1S/C16H23F2N3O2/c1-11-5-4-7-19-14(11)23-10-16(17,18)15(22)20-13-6-8-21(3)12(2)9-13/h4-5,7,12-13H,6,8-10H2,1-3H3,(H,20,22)/t12-,13-/m1/s1
InChIKeyIFBYDYIQLSYQFB-CHWSQXEVSA-N
XLogP2.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The IUPAC name of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide (CID 146401898) is N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The canonical SMILES for N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide is Cc1cccnc1OCC(F)(F)C(=O)N[C@@H]1CCN(C)[C@H](C)C1.
What is the InChIKey of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The InChIKey is IFBYDYIQLSYQFB-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-11-5-4-7-19-14(11)23-10-16(17,18)15(22)20-13-6-8-21(3)12(2)9-13/h4-5,7,12-13H,6,8-10H2,1-3H3,(H,20,22)/t12-,13-/m1/s1.
What are the key properties of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide has a molecular weight of 327.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[(3-methyl-2-pyridinyl)oxy]propanamide is sourced from PubChem (CID 146401898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).