N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride

C17H24ClF3N2O2 — CID 119558303

IUPACN-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCl.O=C(CCc1ccccc1OC(F)(F)F)NCCC1CCCNC1
InChIInChI=1S/C17H23F3N2O2.ClH/c18-17(19,20)24-15-6-2-1-5-14(15)7-8-16(23)22-11-9-13-4-3-10-21-12-13;/h1-2,5-6,13,21H,3-4,7-12H2,(H,22,23);1H
InChIKeyWAWBYWJWASYLEW-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.45
Rot. Bonds7

About N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride

N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119558303) has the molecular formula C17H24ClF3N2O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride
PubChem CID119558303
Molecular FormulaC17H24ClF3N2O2
Molecular Weight380.84 g/mol
Exact Mass380.15
IUPAC NameN-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCl.O=C(CCc1ccccc1OC(F)(F)F)NCCC1CCCNC1
InChIInChI=1S/C17H23F3N2O2.ClH/c18-17(19,20)24-15-6-2-1-5-14(15)7-8-16(23)22-11-9-13-4-3-10-21-12-13;/h1-2,5-6,13,21H,3-4,7-12H2,(H,22,23);1H
InChIKeyWAWBYWJWASYLEW-UHFFFAOYSA-N
XLogP3.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
N-piperidin-4-yl-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119389217
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
2-piperidin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 62689510
N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119464429
4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide
CID 119556464
N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119558465
2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556766
3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557189
3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride
CID 119556270
N-(2-piperidin-3-ylethyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119555094

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride (CID 119558303) is N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride is Cl.O=C(CCc1ccccc1OC(F)(F)F)NCCC1CCCNC1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is WAWBYWJWASYLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2.ClH/c18-17(19,20)24-15-6-2-1-5-14(15)7-8-16(23)22-11-9-13-4-3-10-21-12-13;/h1-2,5-6,13,21H,3-4,7-12H2,(H,22,23);1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 380.84 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119558303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).