N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide

C17H22F3N3O2 — CID 27223796

IUPACN,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)cc1
InChIInChI=1S/C17H22F3N3O2/c1-22(2)16(25)12-5-7-14(8-6-12)21-15(24)11-23-9-3-4-13(10-23)17(18,19)20/h5-8,13H,3-4,9-11H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyAUZWVBWJERIORG-ZDUSSCGKSA-N
MW357.38 g/mol
LogP2.60
Rot. Bonds4

About N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide

N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide (PubChem CID 27223796) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
PubChem CID27223796
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC NameN,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)cc1
InChIInChI=1S/C17H22F3N3O2/c1-22(2)16(25)12-5-7-14(8-6-12)21-15(24)11-23-9-3-4-13(10-23)17(18,19)20/h5-8,13H,3-4,9-11H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyAUZWVBWJERIORG-ZDUSSCGKSA-N
XLogP2.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide with MolForge

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Related Compounds

4-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 46802394
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 25329580
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171691104
N-(2-methoxyphenyl)-4-[[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 46801583
4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide
CID 17467918
4-(diethylamino)-N'-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide
CID 25351035
4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 51170483
4-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 11931448
4-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8904118
N-(5-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801664
4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride
CID 120775335
N-(2-benzoylphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27224348

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide (CID 27223796) is N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide is CN(C)C(=O)c1ccc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide?
The InChIKey is AUZWVBWJERIORG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-22(2)16(25)12-5-7-14(8-6-12)21-15(24)11-23-9-3-4-13(10-23)17(18,19)20/h5-8,13H,3-4,9-11H2,1-2H3,(H,21,24)/t13-/m0/s1.
What are the key properties of N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide has a molecular weight of 357.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 27223796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).