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

C18H26F3N3O2 — CID 146401832

IUPACN-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESC[C@H]1CN(C)CC[C@@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/C18H26F3N3O2/c1-12-10-24(4)9-7-14(12)23-16(25)17(2,3)11-26-15-13(18(19,20)21)6-5-8-22-15/h5-6,8,12,14H,7,9-11H2,1-4H3,(H,23,25)/t12-,14-/m0/s1
InChIKeyHRDHWJSFJWGYQG-JSGCOSHPSA-N
MW373.42 g/mol
LogP2.96
Rot. Bonds5

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

N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146401832) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146401832
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC NameN-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESC[C@H]1CN(C)CC[C@@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/C18H26F3N3O2/c1-12-10-24(4)9-7-14(12)23-16(25)17(2,3)11-26-15-13(18(19,20)21)6-5-8-22-15/h5-6,8,12,14H,7,9-11H2,1-4H3,(H,23,25)/t12-,14-/m0/s1
InChIKeyHRDHWJSFJWGYQG-JSGCOSHPSA-N
XLogP2.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146401832) is N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is C[C@H]1CN(C)CC[C@@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F.
What is the InChIKey of N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is HRDHWJSFJWGYQG-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-12-10-24(4)9-7-14(12)23-16(25)17(2,3)11-26-15-13(18(19,20)21)6-5-8-22-15/h5-6,8,12,14H,7,9-11H2,1-4H3,(H,23,25)/t12-,14-/m0/s1.
What are the key properties of N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 373.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).