3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide

C11H19F3N2O — CID 119726417

IUPAC3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(CC(=O)NCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H19F3N2O/c1-8(9-2-4-15-5-3-9)6-10(17)16-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeySTROFSULAQKUSI-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.69
Rot. Bonds4

About 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide

3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 119726417) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID119726417
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(CC(=O)NCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H19F3N2O/c1-8(9-2-4-15-5-3-9)6-10(17)16-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeySTROFSULAQKUSI-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119737426
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771431
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
CID 119699236
N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119796132
N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119756896
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119758283
N-(1-methoxy-2-methylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119760987
N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 119726417) is 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide is CC(CC(=O)NCC(F)(F)F)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is STROFSULAQKUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8(9-2-4-15-5-3-9)6-10(17)16-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide?
3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 252.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 119726417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).