N-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C9H15F3N2O3 — CID 175947875

IUPACN-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c1-8-7(10)6-2-4-9-5-3-6;3-2(4,5)1(6)7/h6,9H,2-5H2,1H3,(H,8,10);(H,6,7)
InChIKeyASPUUSQCTDCPIB-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.37
Rot. Bonds1

About N-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid

N-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175947875) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is N-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID175947875
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC NameN-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c1-8-7(10)6-2-4-9-5-3-6;3-2(4,5)1(6)7/h6,9H,2-5H2,1H3,(H,8,10);(H,6,7)
InChIKeyASPUUSQCTDCPIB-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 175947875) is N-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ASPUUSQCTDCPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2HF3O2/c1-8-7(10)6-2-4-9-5-3-6;3-2(4,5)1(6)7/h6,9H,2-5H2,1H3,(H,8,10);(H,6,7).
What are the key properties of N-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-methylpiperidine-4-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 N-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175947875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).