N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride

C15H19ClF3N3O2 — CID 119376008

IUPACN-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.NC1CCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3N3O2.ClH/c16-15(17,18)11-3-1-10(2-4-11)14(23)20-9-13(22)21-7-5-12(19)6-8-21;/h1-4,12H,5-9,19H2,(H,20,23);1H
InChIKeyQLHJIAOEQIILIC-UHFFFAOYSA-N
MW365.78 g/mol
LogP1.81
Rot. Bonds3

About N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride

N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119376008) has the molecular formula C15H19ClF3N3O2 and a molecular weight of 365.78 g/mol. Its IUPAC name is N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119376008
Molecular FormulaC15H19ClF3N3O2
Molecular Weight365.78 g/mol
Exact Mass365.11
IUPAC NameN-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.NC1CCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3N3O2.ClH/c16-15(17,18)11-3-1-10(2-4-11)14(23)20-9-13(22)21-7-5-12(19)6-8-21;/h1-4,12H,5-9,19H2,(H,20,23);1H
InChIKeyQLHJIAOEQIILIC-UHFFFAOYSA-N
XLogP1.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119624595
tert-butyl N-[2-oxo-2-[4-[[[4-(trifluoromethyl)benzoyl]amino]methyl]piperidin-1-yl]ethyl]carbamate
CID 108916564
N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9295468
4-fluoro-N-[2-oxo-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 46413222
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 119373866
N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86969180
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9081766
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 108922184
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 59764809
N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119376082
4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958174

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride (CID 119376008) is N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride is Cl.NC1CCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is QLHJIAOEQIILIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2.ClH/c16-15(17,18)11-3-1-10(2-4-11)14(23)20-9-13(22)21-7-5-12(19)6-8-21;/h1-4,12H,5-9,19H2,(H,20,23);1H.
What are the key properties of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride?
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 365.78 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119376008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).