N-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid

C14H25F3N2O3 — CID 175198477

IUPACN-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid
SMILESCCCC(=O)NC(CC)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H24N2O.C2HF3O2/c1-3-5-12(15)14-11(4-2)10-6-8-13-9-7-10;3-2(4,5)1(6)7/h10-11,13H,3-9H2,1-2H3,(H,14,15);(H,6,7)
InChIKeyCOBAGRDPXHIHFO-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.31
Rot. Bonds5

About N-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid

N-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid (PubChem CID 175198477) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid
PubChem CID175198477
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC NameN-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid
SMILESCCCC(=O)NC(CC)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H24N2O.C2HF3O2/c1-3-5-12(15)14-11(4-2)10-6-8-13-9-7-10;3-2(4,5)1(6)7/h10-11,13H,3-9H2,1-2H3,(H,14,15);(H,6,7)
InChIKeyCOBAGRDPXHIHFO-UHFFFAOYSA-N
XLogP2.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid (CID 175198477) is N-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid is CCCC(=O)NC(CC)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid?
The InChIKey is COBAGRDPXHIHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C2HF3O2/c1-3-5-12(15)14-11(4-2)10-6-8-13-9-7-10;3-2(4,5)1(6)7/h10-11,13H,3-9H2,1-2H3,(H,14,15);(H,6,7).
What are the key properties of N-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid?
N-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid has a molecular weight of 326.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175198477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).