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

C17H28F3N5O — CID 128992597

IUPAC2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN1CCC[C@@H](CN(C)CC(=O)NCC(F)(F)F)C1c1cnn(C)c1
InChIInChI=1S/C17H28F3N5O/c1-4-25-7-5-6-13(16(25)14-8-22-24(3)10-14)9-23(2)11-15(26)21-12-17(18,19)20/h8,10,13,16H,4-7,9,11-12H2,1-3H3,(H,21,26)/t13-,16?/m0/s1
InChIKeyDNKMQPIXUHUTDX-KNVGNIICSA-N
MW375.44 g/mol
LogP1.80
Rot. Bonds7

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

2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 128992597) has the molecular formula C17H28F3N5O and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID128992597
Molecular FormulaC17H28F3N5O
Molecular Weight375.44 g/mol
Exact Mass375.22
IUPAC Name2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN1CCC[C@@H](CN(C)CC(=O)NCC(F)(F)F)C1c1cnn(C)c1
InChIInChI=1S/C17H28F3N5O/c1-4-25-7-5-6-13(16(25)14-8-22-24(3)10-14)9-23(2)11-15(26)21-12-17(18,19)20/h8,10,13,16H,4-7,9,11-12H2,1-3H3,(H,21,26)/t13-,16?/m0/s1
InChIKeyDNKMQPIXUHUTDX-KNVGNIICSA-N
XLogP1.80
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 128992597) is 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CCN1CCC[C@@H](CN(C)CC(=O)NCC(F)(F)F)C1c1cnn(C)c1.
What is the InChIKey of 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DNKMQPIXUHUTDX-KNVGNIICSA-N. The full InChI is InChI=1S/C17H28F3N5O/c1-4-25-7-5-6-13(16(25)14-8-22-24(3)10-14)9-23(2)11-15(26)21-12-17(18,19)20/h8,10,13,16H,4-7,9,11-12H2,1-3H3,(H,21,26)/t13-,16?/m0/s1.
What are the key properties of 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 375.44 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 128992597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).