2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C23H28F3N3O2 — CID 146402091

IUPAC2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCN1CC[C@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H28F3N3O2/c1-22(2,15-31-20-18(23(24,25)26)10-7-12-27-20)21(30)28-19-11-13-29(3)14-17(19)16-8-5-4-6-9-16/h4-10,12,17,19H,11,13-15H2,1-3H3,(H,28,30)/t17-,19+/m1/s1
InChIKeyHAWREVGGSODBMY-MJGOQNOKSA-N
MW435.49 g/mol
LogP4.11
Rot. Bonds6

About 2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146402091) has the molecular formula C23H28F3N3O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146402091
Molecular FormulaC23H28F3N3O2
Molecular Weight435.49 g/mol
Exact Mass435.21
IUPAC Name2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCN1CC[C@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H28F3N3O2/c1-22(2,15-31-20-18(23(24,25)26)10-7-12-27-20)21(30)28-19-11-13-29(3)14-17(19)16-8-5-4-6-9-16/h4-10,12,17,19H,11,13-15H2,1-3H3,(H,28,30)/t17-,19+/m1/s1
InChIKeyHAWREVGGSODBMY-MJGOQNOKSA-N
XLogP4.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146402091) is 2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is CN1CC[C@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)[C@@H](c2ccccc2)C1.
What is the InChIKey of 2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is HAWREVGGSODBMY-MJGOQNOKSA-N. The full InChI is InChI=1S/C23H28F3N3O2/c1-22(2,15-31-20-18(23(24,25)26)10-7-12-27-20)21(30)28-19-11-13-29(3)14-17(19)16-8-5-4-6-9-16/h4-10,12,17,19H,11,13-15H2,1-3H3,(H,28,30)/t17-,19+/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 435.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146402091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).