N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride

C16H21ClF3N3O2 — CID 119489961

IUPACN-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride
SMILESCNC1CCCN(C(=O)CNC(=O)c2ccccc2C(F)(F)F)C1.Cl
InChIInChI=1S/C16H20F3N3O2.ClH/c1-20-11-5-4-8-22(10-11)14(23)9-21-15(24)12-6-2-3-7-13(12)16(17,18)19;/h2-3,6-7,11,20H,4-5,8-10H2,1H3,(H,21,24);1H
InChIKeyLTKABSAAEIMTMM-UHFFFAOYSA-N
MW379.81 g/mol
LogP2.07
Rot. Bonds4

About N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride

N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119489961) has the molecular formula C16H21ClF3N3O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119489961
Molecular FormulaC16H21ClF3N3O2
Molecular Weight379.81 g/mol
Exact Mass379.13
IUPAC NameN-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride
SMILESCNC1CCCN(C(=O)CNC(=O)c2ccccc2C(F)(F)F)C1.Cl
InChIInChI=1S/C16H20F3N3O2.ClH/c1-20-11-5-4-8-22(10-11)14(23)9-21-15(24)12-6-2-3-7-13(12)16(17,18)19;/h2-3,6-7,11,20H,4-5,8-10H2,1H3,(H,21,24);1H
InChIKeyLTKABSAAEIMTMM-UHFFFAOYSA-N
XLogP2.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylamino)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119493476
(3R)-1-[(3R)-3-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]butan-1-one
CID 124587837
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
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N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119490921
2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide
CID 55841424
N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119619762
1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705047
1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109006548
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride (CID 119489961) is N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride is CNC1CCCN(C(=O)CNC(=O)c2ccccc2C(F)(F)F)C1.Cl.
What is the InChIKey of N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is LTKABSAAEIMTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2.ClH/c1-20-11-5-4-8-22(10-11)14(23)9-21-15(24)12-6-2-3-7-13(12)16(17,18)19;/h2-3,6-7,11,20H,4-5,8-10H2,1H3,(H,21,24);1H.
What are the key properties of N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride?
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 379.81 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119489961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).