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

C23H28F3N3O3 — CID 146402128

IUPAC2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCN1CC[C@@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H28F3N3O3/c1-22(2,15-31-20-19(10-7-12-27-20)32-23(24,25)26)21(30)28-18-11-13-29(3)14-17(18)16-8-5-4-6-9-16/h4-10,12,17-18H,11,13-15H2,1-3H3,(H,28,30)/t17-,18+/m0/s1
InChIKeyHYKPSAQSACKEAT-ZWKOTPCHSA-N
MW451.49 g/mol
LogP3.99
Rot. Bonds7

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

2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 146402128) has the molecular formula C23H28F3N3O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
PubChem CID146402128
Molecular FormulaC23H28F3N3O3
Molecular Weight451.49 g/mol
Exact Mass451.21
IUPAC Name2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCN1CC[C@@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H28F3N3O3/c1-22(2,15-31-20-19(10-7-12-27-20)32-23(24,25)26)21(30)28-18-11-13-29(3)14-17(18)16-8-5-4-6-9-16/h4-10,12,17-18H,11,13-15H2,1-3H3,(H,28,30)/t17-,18+/m0/s1
InChIKeyHYKPSAQSACKEAT-ZWKOTPCHSA-N
XLogP3.99
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 146402128) is 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is CN1CC[C@@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)[C@H](c2ccccc2)C1.
What is the InChIKey of 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The InChIKey is HYKPSAQSACKEAT-ZWKOTPCHSA-N. The full InChI is InChI=1S/C23H28F3N3O3/c1-22(2,15-31-20-19(10-7-12-27-20)32-23(24,25)26)21(30)28-18-11-13-29(3)14-17(18)16-8-5-4-6-9-16/h4-10,12,17-18H,11,13-15H2,1-3H3,(H,28,30)/t17-,18+/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 451.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146402128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).