N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide

C20H20F3N3O2 — CID 175812419

IUPACN-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCN(Cc2cc(NC(=O)c3ccccc3)cc(C(F)(F)F)c2)CC1=O
InChIInChI=1S/C20H20F3N3O2/c1-25-7-8-26(13-18(25)27)12-14-9-16(20(21,22)23)11-17(10-14)24-19(28)15-5-3-2-4-6-15/h2-6,9-11H,7-8,12-13H2,1H3,(H,24,28)
InChIKeyZGCUHTLSDABSBS-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.23
Rot. Bonds4

About N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide

N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 175812419) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
PubChem CID175812419
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC NameN-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCN(Cc2cc(NC(=O)c3ccccc3)cc(C(F)(F)F)c2)CC1=O
InChIInChI=1S/C20H20F3N3O2/c1-25-7-8-26(13-18(25)27)12-14-9-16(20(21,22)23)11-17(10-14)24-19(28)15-5-3-2-4-6-15/h2-6,9-11H,7-8,12-13H2,1H3,(H,24,28)
InChIKeyZGCUHTLSDABSBS-UHFFFAOYSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[3-(pyridine-3-carbonylamino)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 151204968
3-(aminomethyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide
CID 167436048
4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide
CID 64693334
N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 130364457
N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34199236
N-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide
CID 165142702
N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide
CID 65490452
N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-quinolin-3-yl-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 130364454
phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate
CID 118233827
3-[(3Z,5E)-3,6-diamino-6-formamidohexa-3,5-dien-1-ynyl]-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 155207239
3-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 130364506
2-(4-benzyl-1,4-diazepan-1-yl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 16608496

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide (CID 175812419) is N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide is CN1CCN(Cc2cc(NC(=O)c3ccccc3)cc(C(F)(F)F)c2)CC1=O.
What is the InChIKey of N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZGCUHTLSDABSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-25-7-8-26(13-18(25)27)12-14-9-16(20(21,22)23)11-17(10-14)24-19(28)15-5-3-2-4-6-15/h2-6,9-11H,7-8,12-13H2,1H3,(H,24,28).
What are the key properties of N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide?
N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 391.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 175812419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).