N-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C11H19F3N2O3 — CID 166667263

IUPACN-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-7(2)11-9(12)8-3-5-10-6-4-8;3-2(4,5)1(6)7/h7-8,10H,3-6H2,1-2H3,(H,11,12);(H,6,7)
InChIKeyKYPXHASVDNZYRA-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.14
Rot. Bonds2

About N-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid

N-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166667263) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166667263
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC NameN-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-7(2)11-9(12)8-3-5-10-6-4-8;3-2(4,5)1(6)7/h7-8,10H,3-6H2,1-2H3,(H,11,12);(H,6,7)
InChIKeyKYPXHASVDNZYRA-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 166667263) is N-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid is CC(C)NC(=O)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KYPXHASVDNZYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2HF3O2/c1-7(2)11-9(12)8-3-5-10-6-4-8;3-2(4,5)1(6)7/h7-8,10H,3-6H2,1-2H3,(H,11,12);(H,6,7).
What are the key properties of N-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166667263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).