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

C23H28F3N3O2 — CID 146401932

IUPAC2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCc1ccccc1[C@@H]1CNCC[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/C23H28F3N3O2/c1-15-7-4-5-8-16(15)17-13-27-12-10-19(17)29-21(30)22(2,3)14-31-20-18(23(24,25)26)9-6-11-28-20/h4-9,11,17,19,27H,10,12-14H2,1-3H3,(H,29,30)/t17-,19+/m0/s1
InChIKeyVKVZKSAFENZDGC-PKOBYXMFSA-N
MW435.49 g/mol
LogP4.08
Rot. Bonds6

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

2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146401932) has the molecular formula C23H28F3N3O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146401932
Molecular FormulaC23H28F3N3O2
Molecular Weight435.49 g/mol
Exact Mass435.21
IUPAC Name2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCc1ccccc1[C@@H]1CNCC[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/C23H28F3N3O2/c1-15-7-4-5-8-16(15)17-13-27-12-10-19(17)29-21(30)22(2,3)14-31-20-18(23(24,25)26)9-6-11-28-20/h4-9,11,17,19,27H,10,12-14H2,1-3H3,(H,29,30)/t17-,19+/m0/s1
InChIKeyVKVZKSAFENZDGC-PKOBYXMFSA-N
XLogP4.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4794993
CID 44475061
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CID 45487723
CID 45487723
CID 45487734
CID 45487734
CID 45487797
CID 45487797
CID 71201914
CID 71201914
CID 121452784
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CID 146401856
CID 146401856

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146401932) is 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is Cc1ccccc1[C@@H]1CNCC[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is VKVZKSAFENZDGC-PKOBYXMFSA-N. The full InChI is InChI=1S/C23H28F3N3O2/c1-15-7-4-5-8-16(15)17-13-27-12-10-19(17)29-21(30)22(2,3)14-31-20-18(23(24,25)26)9-6-11-28-20/h4-9,11,17,19,27H,10,12-14H2,1-3H3,(H,29,30)/t17-,19+/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 435.49 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).