N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride

C16H22ClF3N2O — CID 119558465

IUPACN-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(C(F)(F)F)c1)NCCC1CCCNC1
InChIInChI=1S/C16H21F3N2O.ClH/c17-16(18,19)14-5-1-3-13(9-14)10-15(22)21-8-6-12-4-2-7-20-11-12;/h1,3,5,9,12,20H,2,4,6-8,10-11H2,(H,21,22);1H
InChIKeyQXZJOXIMSQUJRY-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.18
Rot. Bonds5

About N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride

N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride (PubChem CID 119558465) has the molecular formula C16H22ClF3N2O and a molecular weight of 350.81 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
PubChem CID119558465
Molecular FormulaC16H22ClF3N2O
Molecular Weight350.81 g/mol
Exact Mass350.14
IUPAC NameN-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(C(F)(F)F)c1)NCCC1CCCNC1
InChIInChI=1S/C16H21F3N2O.ClH/c17-16(18,19)14-5-1-3-13(9-14)10-15(22)21-8-6-12-4-2-7-20-11-12;/h1,3,5,9,12,20H,2,4,6-8,10-11H2,(H,21,22);1H
InChIKeyQXZJOXIMSQUJRY-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 119555497
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119979230
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperidin-3-ylethyl)acetamide
CID 119556601
N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119557662
N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 125137707
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride (CID 119558465) is N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride is Cl.O=C(Cc1cccc(C(F)(F)F)c1)NCCC1CCCNC1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The InChIKey is QXZJOXIMSQUJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O.ClH/c17-16(18,19)14-5-1-3-13(9-14)10-15(22)21-8-6-12-4-2-7-20-11-12;/h1,3,5,9,12,20H,2,4,6-8,10-11H2,(H,21,22);1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride?
N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride has a molecular weight of 350.81 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119558465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).