N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide

C13H23F3N2O — CID 100836620

IUPACN-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCC(C)[C@H](C)NC(=O)CN1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-9(2)10(3)17-12(19)8-18-6-4-5-11(7-18)13(14,15)16/h9-11H,4-8H2,1-3H3,(H,17,19)/t10-,11+/m0/s1
InChIKeyUXPBALQMVFKMIN-WDEREUQCSA-N
MW280.33 g/mol
LogP2.42
Rot. Bonds4

About N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide

N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 100836620) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID100836620
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCC(C)[C@H](C)NC(=O)CN1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-9(2)10(3)17-12(19)8-18-6-4-5-11(7-18)13(14,15)16/h9-11H,4-8H2,1-3H3,(H,17,19)/t10-,11+/m0/s1
InChIKeyUXPBALQMVFKMIN-WDEREUQCSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(propan-2-ylcarbamoyl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27098406
2-(3-aminopiperidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61297413
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102977545
2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 86908322
N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847249
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63847459
N-[(2R)-1-hydroxypropan-2-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 170258612
N-(2,3-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801707
N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 27223796
N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 45281619
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171691104

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide (CID 100836620) is N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide is CC(C)[C@H](C)NC(=O)CN1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is UXPBALQMVFKMIN-WDEREUQCSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-9(2)10(3)17-12(19)8-18-6-4-5-11(7-18)13(14,15)16/h9-11H,4-8H2,1-3H3,(H,17,19)/t10-,11+/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 100836620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).