N-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide

C13H23F3N2O — CID 10540713

IUPACN-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[C@@H](CN1CCCCC1)NC(=O)C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-12(2,3)10(17-11(19)13(14,15)16)9-18-7-5-4-6-8-18/h10H,4-9H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyOESUCKGWOUJMSC-SNVBAGLBSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds3

About N-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide

N-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 10540713) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID10540713
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[C@@H](CN1CCCCC1)NC(=O)C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-12(2,3)10(17-11(19)13(14,15)16)9-18-7-5-4-6-8-18/h10H,4-9H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyOESUCKGWOUJMSC-SNVBAGLBSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-ylmethyl)-3,3-dimethylbutanoic acid
CID 117242461
N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide
CID 131940109
2-methyl-2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 55122215
2,2,2-trifluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 62490280
N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 580958
2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide
CID 76893128
N-(1-piperidin-1-ylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958032
methyl 2-amino-3-piperidin-1-ylpropanoate
CID 10988984
4-(azepan-1-yl)-3-hydroxybutanoic acid
CID 82774888
methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate
CID 117242052
3-(azocan-1-yl)-2,2-dimethylpropanehydrazide
CID 79627677
4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid
CID 107474872

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide (CID 10540713) is N-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide is CC(C)(C)[C@@H](CN1CCCCC1)NC(=O)C(F)(F)F.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is OESUCKGWOUJMSC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-12(2,3)10(17-11(19)13(14,15)16)9-18-7-5-4-6-8-18/h10H,4-9H2,1-3H3,(H,17,19)/t10-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide?
N-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 280.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10540713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).