4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide

C17H23F3N2O — CID 119557143

IUPAC4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide
SMILESO=C(CC(c1ccccc1)C(F)(F)F)NCCC1CCCNC1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)15(14-6-2-1-3-7-14)11-16(23)22-10-8-13-5-4-9-21-12-13/h1-3,6-7,13,15,21H,4-5,8-12H2,(H,22,23)
InChIKeyOAQGZHVHJQPNEL-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.23
Rot. Bonds6

About 4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide

4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide (PubChem CID 119557143) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide
PubChem CID119557143
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide
SMILESO=C(CC(c1ccccc1)C(F)(F)F)NCCC1CCCNC1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)15(14-6-2-1-3-7-14)11-16(23)22-10-8-13-5-4-9-21-12-13/h1-3,6-7,13,15,21H,4-5,8-12H2,(H,22,23)
InChIKeyOAQGZHVHJQPNEL-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119557662
3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556662
4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119533754
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119558465
N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119537602
N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 119555497

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide (CID 119557143) is 4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide is O=C(CC(c1ccccc1)C(F)(F)F)NCCC1CCCNC1.
What is the InChIKey of 4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide?
The InChIKey is OAQGZHVHJQPNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)15(14-6-2-1-3-7-14)11-16(23)22-10-8-13-5-4-9-21-12-13/h1-3,6-7,13,15,21H,4-5,8-12H2,(H,22,23).
What are the key properties of 4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide?
4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide has a molecular weight of 328.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide is sourced from PubChem (CID 119557143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).