N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide

C20H26F3N5O3 — CID 68752385

IUPACN-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN1CC(=O)N1CCNCC1
InChIInChI=1S/C20H26F3N5O3/c21-20(22,23)15-4-1-3-14(11-15)19(31)25-12-17(29)26-16-5-2-8-28(16)13-18(30)27-9-6-24-7-10-27/h1,3-4,11,16,24H,2,5-10,12-13H2,(H,25,31)(H,26,29)
InChIKeySSPQGKWIFCHVAM-UHFFFAOYSA-N
MW441.45 g/mol
LogP0.41
Rot. Bonds6

About N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide

N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 68752385) has the molecular formula C20H26F3N5O3 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID68752385
Molecular FormulaC20H26F3N5O3
Molecular Weight441.45 g/mol
Exact Mass441.20
IUPAC NameN-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN1CC(=O)N1CCNCC1
InChIInChI=1S/C20H26F3N5O3/c21-20(22,23)15-4-1-3-14(11-15)19(31)25-12-17(29)26-16-5-2-8-28(16)13-18(30)27-9-6-24-7-10-27/h1,3-4,11,16,24H,2,5-10,12-13H2,(H,25,31)(H,26,29)
InChIKeySSPQGKWIFCHVAM-UHFFFAOYSA-N
XLogP0.41
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-[[1-(2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 68747137
N-[2-[[1-[2-(4-benzoylpiperazin-1-yl)-2-methylpropyl]pyrrolidin-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 68776942
N-[2-(azetidin-3-ylamino)-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 66750350
N-[2-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 59556091
N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-3-(trifluoromethyl)benzamide
CID 18426164
N-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 75582836
N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 24801692
N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 141274805
N-[2-[[(3R)-1-cyclohexylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 154542142
N-[2-[[1-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 70496442
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 175740538
N-[2-[[(1S,2R)-2-[(4-chlorobenzoyl)amino]cyclopentyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 10139931

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide (CID 68752385) is N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide is O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN1CC(=O)N1CCNCC1.
What is the InChIKey of N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SSPQGKWIFCHVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O3/c21-20(22,23)15-4-1-3-14(11-15)19(31)25-12-17(29)26-16-5-2-8-28(16)13-18(30)27-9-6-24-7-10-27/h1,3-4,11,16,24H,2,5-10,12-13H2,(H,25,31)(H,26,29).
What are the key properties of N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 441.45 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 68752385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).