N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride

C15H20ClF3N2O2 — CID 119464429

IUPACN-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(OC(F)(F)F)cc1)NCC1CCCNC1
InChIInChI=1S/C15H19F3N2O2.ClH/c16-15(17,18)22-13-5-3-11(4-6-13)8-14(21)20-10-12-2-1-7-19-9-12;/h3-6,12,19H,1-2,7-10H2,(H,20,21);1H
InChIKeyUQYLJVQSSVXKNV-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.67
Rot. Bonds5

About N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride

N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride (PubChem CID 119464429) has the molecular formula C15H20ClF3N2O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
PubChem CID119464429
Molecular FormulaC15H20ClF3N2O2
Molecular Weight352.78 g/mol
Exact Mass352.12
IUPAC NameN-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(OC(F)(F)F)cc1)NCC1CCCNC1
InChIInChI=1S/C15H19F3N2O2.ClH/c16-15(17,18)22-13-5-3-11(4-6-13)8-14(21)20-10-12-2-1-7-19-9-12;/h3-6,12,19H,1-2,7-10H2,(H,20,21);1H
InChIKeyUQYLJVQSSVXKNV-UHFFFAOYSA-N
XLogP2.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 120945181
2-piperidin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 62689337
2-(4-ethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119460422
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119513413
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119460923
N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119558303
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461994
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride (CID 119464429) is N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride is Cl.O=C(Cc1ccc(OC(F)(F)F)cc1)NCC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is UQYLJVQSSVXKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2.ClH/c16-15(17,18)22-13-5-3-11(4-6-13)8-14(21)20-10-12-2-1-7-19-9-12;/h3-6,12,19H,1-2,7-10H2,(H,20,21);1H.
What are the key properties of N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 352.78 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119464429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).