N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride

C14H18ClF3N2O2 — CID 119425494

IUPACN-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
SMILESCl.O=C(COc1cccc(C(F)(F)F)c1)NC1CCCNC1
InChIInChI=1S/C14H17F3N2O2.ClH/c15-14(16,17)10-3-1-5-12(7-10)21-9-13(20)19-11-4-2-6-18-8-11;/h1,3,5,7,11,18H,2,4,6,8-9H2,(H,19,20);1H
InChIKeyPUBJMHRUYPNGRM-UHFFFAOYSA-N
MW338.76 g/mol
LogP2.37
Rot. Bonds4

About N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride

N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride (PubChem CID 119425494) has the molecular formula C14H18ClF3N2O2 and a molecular weight of 338.76 g/mol. Its IUPAC name is N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
PubChem CID119425494
Molecular FormulaC14H18ClF3N2O2
Molecular Weight338.76 g/mol
Exact Mass338.10
IUPAC NameN-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
SMILESCl.O=C(COc1cccc(C(F)(F)F)c1)NC1CCCNC1
InChIInChI=1S/C14H17F3N2O2.ClH/c15-14(16,17)10-3-1-5-12(7-10)21-9-13(20)19-11-4-2-6-18-8-11;/h1,3,5,7,11,18H,2,4,6,8-9H2,(H,19,20);1H
InChIKeyPUBJMHRUYPNGRM-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-yl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119386965
N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119475585
N-piperidin-3-yl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119425290
2-(4-tert-butylphenoxy)-N-piperidin-3-ylacetamide
CID 119428082
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 35292688
1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 104645603
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119427331
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8024431
N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119428190
2-(2-tert-butylphenoxy)-N-piperidin-3-ylacetamide;hydrochloride
CID 119426969
1-(1,4-diazepan-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119415304
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride (CID 119425494) is N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride is Cl.O=C(COc1cccc(C(F)(F)F)c1)NC1CCCNC1.
What is the InChIKey of N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
The InChIKey is PUBJMHRUYPNGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2.ClH/c15-14(16,17)10-3-1-5-12(7-10)21-9-13(20)19-11-4-2-6-18-8-11;/h1,3,5,7,11,18H,2,4,6,8-9H2,(H,19,20);1H.
What are the key properties of N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride has a molecular weight of 338.76 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119425494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).