(3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid

C9H15F3N2O3 — CID 131730620

IUPAC(3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@@H]1CCCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c1-8-7(10)6-3-2-4-9-5-6;3-2(4,5)1(6)7/h6,9H,2-5H2,1H3,(H,8,10);(H,6,7)/t6-;/m1./s1
InChIKeyXBPKGZBYZOUIHT-FYZOBXCZSA-N
MW256.22 g/mol
LogP0.37
Rot. Bonds1

About (3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid

(3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 131730620) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is (3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID131730620
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name(3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@@H]1CCCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c1-8-7(10)6-3-2-4-9-5-6;3-2(4,5)1(6)7/h6,9H,2-5H2,1H3,(H,8,10);(H,6,7)/t6-;/m1./s1
InChIKeyXBPKGZBYZOUIHT-FYZOBXCZSA-N
XLogP0.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide hydrochloride
CID 54595524
N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54595659
3-[(Dimethylamino)carbonyl]piperidine trifluoroacetic acid salt
CID 22929373
N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 24701618
(3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 28197261
N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54595673
4-Amino2-piperidone trifluoroacetate
CID 57415893
3-[(2,2-Difluoro-4-methylpentanoyl)amino]propanoic acid
CID 57700601
(3S)-N-cyclohexylpiperidine-3-carboxamide trifluoroacetate
CID 66742803
N,N-dimethyl-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 68471258
Piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
1,2-Dimethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 69805291

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 131730620) is (3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)[C@@H]1CCCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of (3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is XBPKGZBYZOUIHT-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H14N2O.C2HF3O2/c1-8-7(10)6-3-2-4-9-5-6;3-2(4,5)1(6)7/h6,9H,2-5H2,1H3,(H,8,10);(H,6,7)/t6-;/m1./s1.
What are the key properties of (3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
(3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 256.22 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 131730620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).