(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide

C12H21F3N2O — CID 100836067

IUPAC(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESCC(C)NC(=O)[C@H](C)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-8(2)16-11(18)9(3)17-6-4-5-10(7-17)12(13,14)15/h8-10H,4-7H2,1-3H3,(H,16,18)/t9-,10+/m0/s1
InChIKeyFLZPURCWKQWBRZ-VHSXEESVSA-N
MW266.31 g/mol
LogP2.17
Rot. Bonds3

About (2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide

(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 100836067) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is (2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID100836067
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESCC(C)NC(=O)[C@H](C)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-8(2)16-11(18)9(3)17-6-4-5-10(7-17)12(13,14)15/h8-10H,4-7H2,1-3H3,(H,16,18)/t9-,10+/m0/s1
InChIKeyFLZPURCWKQWBRZ-VHSXEESVSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 26598322
(2R)-N-[(1S)-1-phenylethyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27098394
(2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 129429877
2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide
CID 79408805
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 17411208
N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46630533
ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine
CID 178173299
N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801609
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801564
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 42915661
1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
CID 56811023
2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 81492569

Frequently Asked Questions

What is the IUPAC name of (2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide (CID 100836067) is (2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide is CC(C)NC(=O)[C@H](C)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is FLZPURCWKQWBRZ-VHSXEESVSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-8(2)16-11(18)9(3)17-6-4-5-10(7-17)12(13,14)15/h8-10H,4-7H2,1-3H3,(H,16,18)/t9-,10+/m0/s1.
What are the key properties of (2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 266.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 100836067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).