3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide

C19H28F3N3O2 — CID 155922398

IUPAC3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide
SMILESCOCC(C)(C)C(=O)NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C19H28F3N3O2/c1-18(2,13-27-3)17(26)23-9-12-25-10-7-14(8-11-25)15-5-4-6-16(24-15)19(20,21)22/h4-6,14H,7-13H2,1-3H3,(H,23,26)
InChIKeyVLVHBCCFLHBDRZ-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.07
Rot. Bonds7

About 3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide

3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide (PubChem CID 155922398) has the molecular formula C19H28F3N3O2 and a molecular weight of 387.45 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide
PubChem CID155922398
Molecular FormulaC19H28F3N3O2
Molecular Weight387.45 g/mol
Exact Mass387.21
IUPAC Name3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide
SMILESCOCC(C)(C)C(=O)NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C19H28F3N3O2/c1-18(2,13-27-3)17(26)23-9-12-25-10-7-14(8-11-25)15-5-4-6-16(24-15)19(20,21)22/h4-6,14H,7-13H2,1-3H3,(H,23,26)
InChIKeyVLVHBCCFLHBDRZ-UHFFFAOYSA-N
XLogP3.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide?
The IUPAC name of 3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide (CID 155922398) is 3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide?
The canonical SMILES for 3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide is COCC(C)(C)C(=O)NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide?
The InChIKey is VLVHBCCFLHBDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O2/c1-18(2,13-27-3)17(26)23-9-12-25-10-7-14(8-11-25)15-5-4-6-16(24-15)19(20,21)22/h4-6,14H,7-13H2,1-3H3,(H,23,26).
What are the key properties of 3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide?
3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide has a molecular weight of 387.45 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 155922398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).