2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C15H17F5N2O — CID 166601910

IUPAC2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(C(F)F)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F5N2O/c16-14(17)10-4-6-22(7-5-10)9-13(23)21-12-3-1-2-11(8-12)15(18,19)20/h1-3,8,10,14H,4-7,9H2,(H,21,23)
InChIKeyGZYLEBJPJMFYOX-UHFFFAOYSA-N
MW336.30 g/mol
LogP3.62
Rot. Bonds4

About 2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 166601910) has the molecular formula C15H17F5N2O and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID166601910
Molecular FormulaC15H17F5N2O
Molecular Weight336.30 g/mol
Exact Mass336.13
IUPAC Name2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(C(F)F)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F5N2O/c16-14(17)10-4-6-22(7-5-10)9-13(23)21-12-3-1-2-11(8-12)15(18,19)20/h1-3,8,10,14H,4-7,9H2,(H,21,23)
InChIKeyGZYLEBJPJMFYOX-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
2-(4-cyclopentylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34421603
2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42609562
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
2-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163344929
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90493981
1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 16910314
2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163344890
2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 145278481
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110881552
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 16812702

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 166601910) is 2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCC(C(F)F)CC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GZYLEBJPJMFYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F5N2O/c16-14(17)10-4-6-22(7-5-10)9-13(23)21-12-3-1-2-11(8-12)15(18,19)20/h1-3,8,10,14H,4-7,9H2,(H,21,23).
What are the key properties of 2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 336.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 166601910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).