N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide

C19H26F3N3O2 — CID 42915661

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C(C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H26F3N3O2/c1-12-6-4-7-13(2)17(12)24-16(26)10-23-18(27)14(3)25-9-5-8-15(11-25)19(20,21)22/h4,6-7,14-15H,5,8-11H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyPBBNWBWMHICPRO-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 42915661) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID42915661
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C(C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H26F3N3O2/c1-12-6-4-7-13(2)17(12)24-16(26)10-23-18(27)14(3)25-9-5-8-15(11-25)19(20,21)22/h4,6-7,14-15H,5,8-11H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyPBBNWBWMHICPRO-UHFFFAOYSA-N
XLogP3.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 25466162
(2R)-2-(azepan-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9032994
(2R)-2-(4-acetylpiperazin-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9033789
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 27633039
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9042725
(2R)-N-[(1S)-1-phenylethyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27098394
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 17411208
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266339
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266337
N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46630533
N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801609
(2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 129429877

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide (CID 42915661) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide is Cc1cccc(C)c1NC(=O)CNC(=O)C(C)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is PBBNWBWMHICPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-12-6-4-7-13(2)17(12)24-16(26)10-23-18(27)14(3)25-9-5-8-15(11-25)19(20,21)22/h4,6-7,14-15H,5,8-11H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 385.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 42915661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).