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

C20H28F3N5O2 — CID 68747137

IUPACN-[2-oxo-2-[[1-(2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN1CCN1CCNCC1
InChIInChI=1S/C20H28F3N5O2/c21-20(22,23)16-4-1-3-15(13-16)19(30)25-14-18(29)26-17-5-2-8-28(17)12-11-27-9-6-24-7-10-27/h1,3-4,13,17,24H,2,5-12,14H2,(H,25,30)(H,26,29)
InChIKeyQJCHKFHYIVJEJR-UHFFFAOYSA-N
MW427.47 g/mol
LogP0.88
Rot. Bonds7

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

N-[2-oxo-2-[[1-(2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 68747137) has the molecular formula C20H28F3N5O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[2-oxo-2-[[1-(2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[1-(2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID68747137
Molecular FormulaC20H28F3N5O2
Molecular Weight427.47 g/mol
Exact Mass427.22
IUPAC NameN-[2-oxo-2-[[1-(2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN1CCN1CCNCC1
InChIInChI=1S/C20H28F3N5O2/c21-20(22,23)16-4-1-3-15(13-16)19(30)25-14-18(29)26-17-5-2-8-28(17)12-11-27-9-6-24-7-10-27/h1,3-4,13,17,24H,2,5-12,14H2,(H,25,30)(H,26,29)
InChIKeyQJCHKFHYIVJEJR-UHFFFAOYSA-N
XLogP0.88
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 68752385
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-[[(1S,2S)-2-aminocyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 24801692
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 175740538
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)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 141274805
N-(4-chlorophenyl)-4-[2-[(3R)-3-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]pyrrolidin-1-yl]ethyl]piperazine-1-carboxamide
CID 50925073
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-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-oxo-2-[[1-(2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide (CID 68747137) is N-[2-oxo-2-[[1-(2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-oxo-2-[[1-(2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-oxo-2-[[1-(2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide is O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN1CCN1CCNCC1.
What is the InChIKey of N-[2-oxo-2-[[1-(2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QJCHKFHYIVJEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N5O2/c21-20(22,23)16-4-1-3-15(13-16)19(30)25-14-18(29)26-17-5-2-8-28(17)12-11-27-9-6-24-7-10-27/h1,3-4,13,17,24H,2,5-12,14H2,(H,25,30)(H,26,29).
What are the key properties of N-[2-oxo-2-[[1-(2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
N-[2-oxo-2-[[1-(2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 427.47 g/mol, XLogP of 0.88, 7 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-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 68747137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).