1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C12H21F3N2O3 — CID 174854597

IUPAC1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCCCN1CCC(C(N)=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O.C2HF3O2/c1-2-3-6-12-7-4-9(5-8-12)10(11)13;3-2(4,5)1(6)7/h9H,2-8H2,1H3,(H2,11,13);(H,6,7)
InChIKeyZTKBIFDFRRSOOQ-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.62
Rot. Bonds4

About 1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid

1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 174854597) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID174854597
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCCCN1CCC(C(N)=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O.C2HF3O2/c1-2-3-6-12-7-4-9(5-8-12)10(11)13;3-2(4,5)1(6)7/h9H,2-8H2,1H3,(H2,11,13);(H,6,7)
InChIKeyZTKBIFDFRRSOOQ-UHFFFAOYSA-N
XLogP1.62
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-octadecylpiperidine-4-carboxamide
CID 4134920
1-propylpiperidine-4-carboxamide
CID 18678413
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-[4-[(N'-methyl-N-pentylcarbamimidoyl)amino]butyl]piperidine-4-carboxamide
CID 111129273
1-(3,3-dimethylbutyl)piperidine-4-carboxamide
CID 20792956
1-(6-methoxyhexyl)piperidine-4-carboxamide
CID 139907421
1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 139907414
benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
N'-hydroxy-1-pentylpiperidine-4-carboximidamide
CID 77038507
1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen
CID 142890375
1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide
CID 56796177

Frequently Asked Questions

What is the IUPAC name of 1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 174854597) is 1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid is CCCCN1CCC(C(N)=O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZTKBIFDFRRSOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2HF3O2/c1-2-3-6-12-7-4-9(5-8-12)10(11)13;3-2(4,5)1(6)7/h9H,2-8H2,1H3,(H2,11,13);(H,6,7).
What are the key properties of 1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 298.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174854597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).