2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C16H26F3N5O — CID 128995571

IUPAC2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C16H26F3N5O/c1-22(10-14(25)20-11-16(17,18)19)8-12-5-4-6-23(2)15(12)13-7-21-24(3)9-13/h7,9,12,15H,4-6,8,10-11H2,1-3H3,(H,20,25)/t12-,15+/m0/s1
InChIKeyWILNPEQBJGNAAE-SWLSCSKDSA-N
MW361.41 g/mol
LogP1.41
Rot. Bonds6

About 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 128995571) has the molecular formula C16H26F3N5O and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID128995571
Molecular FormulaC16H26F3N5O
Molecular Weight361.41 g/mol
Exact Mass361.21
IUPAC Name2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C16H26F3N5O/c1-22(10-14(25)20-11-16(17,18)19)8-12-5-4-6-23(2)15(12)13-7-21-24(3)9-13/h7,9,12,15H,4-6,8,10-11H2,1-3H3,(H,20,25)/t12-,15+/m0/s1
InChIKeyWILNPEQBJGNAAE-SWLSCSKDSA-N
XLogP1.41
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 128995571) is 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1.
What is the InChIKey of 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WILNPEQBJGNAAE-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H26F3N5O/c1-22(10-14(25)20-11-16(17,18)19)8-12-5-4-6-23(2)15(12)13-7-21-24(3)9-13/h7,9,12,15H,4-6,8,10-11H2,1-3H3,(H,20,25)/t12-,15+/m0/s1.
What are the key properties of 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 361.41 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 128995571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).