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

C18H26F3N3O3 — CID 146422029

IUPACN-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESC[C@@H]1C[C@@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)CCN1C
InChIInChI=1S/C18H26F3N3O3/c1-12-10-13(7-9-24(12)4)23-16(25)17(2,3)11-26-15-14(6-5-8-22-15)27-18(19,20)21/h5-6,8,12-13H,7,9-11H2,1-4H3,(H,23,25)/t12-,13+/m1/s1
InChIKeyVSCUMXQEGVEBGH-OLZOCXBDSA-N
MW389.42 g/mol
LogP2.98
Rot. Bonds6

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

N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 146422029) has the molecular formula C18H26F3N3O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
PubChem CID146422029
Molecular FormulaC18H26F3N3O3
Molecular Weight389.42 g/mol
Exact Mass389.19
IUPAC NameN-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESC[C@@H]1C[C@@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)CCN1C
InChIInChI=1S/C18H26F3N3O3/c1-12-10-13(7-9-24(12)4)23-16(25)17(2,3)11-26-15-14(6-5-8-22-15)27-18(19,20)21/h5-6,8,12-13H,7,9-11H2,1-4H3,(H,23,25)/t12-,13+/m1/s1
InChIKeyVSCUMXQEGVEBGH-OLZOCXBDSA-N
XLogP2.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide with MolForge

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Related Compounds

CID 146401852
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CID 146401964
CID 146402382
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CID 146402430
CID 146402430
CID 146422009
CID 146422009
CID 49855404
CID 49855404
CID 66797340
CID 66797340
CID 121346654
CID 121346654
CID 146401824
CID 146401824
CID 146401826
CID 146401826
CID 146401832
CID 146401832

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 146422029) is N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is C[C@@H]1C[C@@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)CCN1C.
What is the InChIKey of N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The InChIKey is VSCUMXQEGVEBGH-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H26F3N3O3/c1-12-10-13(7-9-24(12)4)23-16(25)17(2,3)11-26-15-14(6-5-8-22-15)27-18(19,20)21/h5-6,8,12-13H,7,9-11H2,1-4H3,(H,23,25)/t12-,13+/m1/s1.
What are the key properties of N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 389.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146422029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).