N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride

C16H22ClF3N2O — CID 119474100

IUPACN-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)C1CCCNC1.Cl
InChIInChI=1S/C16H21F3N2O.ClH/c1-11(13-3-2-8-20-10-13)21-15(22)9-12-4-6-14(7-5-12)16(17,18)19;/h4-7,11,13,20H,2-3,8-10H2,1H3,(H,21,22);1H
InChIKeyHATGJHSMWZUHOD-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.17
Rot. Bonds4

About N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride

N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride (PubChem CID 119474100) has the molecular formula C16H22ClF3N2O and a molecular weight of 350.81 g/mol. Its IUPAC name is N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
PubChem CID119474100
Molecular FormulaC16H22ClF3N2O
Molecular Weight350.81 g/mol
Exact Mass350.14
IUPAC NameN-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)C1CCCNC1.Cl
InChIInChI=1S/C16H21F3N2O.ClH/c1-11(13-3-2-8-20-10-13)21-15(22)9-12-4-6-14(7-5-12)16(17,18)19;/h4-7,11,13,20H,2-3,8-10H2,1H3,(H,21,22);1H
InChIKeyHATGJHSMWZUHOD-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 103977076
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934
2-(4-hydroxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62046897
2-(4-methoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119473969
2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977159
2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119474033
N-(1-piperidin-3-ylethyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119474131
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
N-[2-oxo-2-(1-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119474128
2-(3-methyl-2-pyridinyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 107148388

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride (CID 119474100) is N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride is CC(NC(=O)Cc1ccc(C(F)(F)F)cc1)C1CCCNC1.Cl.
What is the InChIKey of N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The InChIKey is HATGJHSMWZUHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O.ClH/c1-11(13-3-2-8-20-10-13)21-15(22)9-12-4-6-14(7-5-12)16(17,18)19;/h4-7,11,13,20H,2-3,8-10H2,1H3,(H,21,22);1H.
What are the key properties of N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride has a molecular weight of 350.81 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119474100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).