N,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C24H30F3N3O2 — CID 146401941

IUPACN,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCc1ccccc1[C@@H]1CNCC[C@H]1N(C)C(=O)C(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/C24H30F3N3O2/c1-16-8-5-6-9-17(16)18-14-28-13-11-20(18)30(4)22(31)23(2,3)15-32-21-19(24(25,26)27)10-7-12-29-21/h5-10,12,18,20,28H,11,13-15H2,1-4H3/t18-,20+/m0/s1
InChIKeyDLTUIKUOGTZMDI-AZUAARDMSA-N
MW449.52 g/mol
LogP4.42
Rot. Bonds6

About N,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146401941) has the molecular formula C24H30F3N3O2 and a molecular weight of 449.52 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146401941
Molecular FormulaC24H30F3N3O2
Molecular Weight449.52 g/mol
Exact Mass449.23
IUPAC NameN,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCc1ccccc1[C@@H]1CNCC[C@H]1N(C)C(=O)C(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/C24H30F3N3O2/c1-16-8-5-6-9-17(16)18-14-28-13-11-20(18)30(4)22(31)23(2,3)15-32-21-19(24(25,26)27)10-7-12-29-21/h5-10,12,18,20,28H,11,13-15H2,1-4H3/t18-,20+/m0/s1
InChIKeyDLTUIKUOGTZMDI-AZUAARDMSA-N
XLogP4.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146401941) is N,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is Cc1ccccc1[C@@H]1CNCC[C@H]1N(C)C(=O)C(C)(C)COc1ncccc1C(F)(F)F.
What is the InChIKey of N,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is DLTUIKUOGTZMDI-AZUAARDMSA-N. The full InChI is InChI=1S/C24H30F3N3O2/c1-16-8-5-6-9-17(16)18-14-28-13-11-20(18)30(4)22(31)23(2,3)15-32-21-19(24(25,26)27)10-7-12-29-21/h5-10,12,18,20,28H,11,13-15H2,1-4H3/t18-,20+/m0/s1.
What are the key properties of N,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 449.52 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).