2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C19H25F3N4O3 — CID 56542629

IUPAC2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCC1(C)C(=O)NCCN1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C19H25F3N4O3/c1-18(2)17(28)23-5-6-26(18)12-16(27)24-14-11-13(19(20,21)22)3-4-15(14)25-7-9-29-10-8-25/h3-4,11H,5-10,12H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyBHZIKRHSPCFZQZ-UHFFFAOYSA-N
MW414.43 g/mol
LogP1.69
Rot. Bonds4

About 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 56542629) has the molecular formula C19H25F3N4O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID56542629
Molecular FormulaC19H25F3N4O3
Molecular Weight414.43 g/mol
Exact Mass414.19
IUPAC Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCC1(C)C(=O)NCCN1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C19H25F3N4O3/c1-18(2)17(28)23-5-6-26(18)12-16(27)24-14-11-13(19(20,21)22)3-4-15(14)25-7-9-29-10-8-25/h3-4,11H,5-10,12H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyBHZIKRHSPCFZQZ-UHFFFAOYSA-N
XLogP1.69
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 2541397
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 7669566
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41236325
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24554961
2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 4818454
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 40821592
2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3540830
2-(4-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7892012
2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55437577
2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 41093489
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 56542629) is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is CC1(C)C(=O)NCCN1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BHZIKRHSPCFZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O3/c1-18(2)17(28)23-5-6-26(18)12-16(27)24-14-11-13(19(20,21)22)3-4-15(14)25-7-9-29-10-8-25/h3-4,11H,5-10,12H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 414.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 56542629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).