N-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide

C23H26F3N3O — CID 23147696

IUPACN-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1(N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C23H26F3N3O/c1-28(16-17-5-4-8-20(13-17)23(24,25)26)21(30)22(29-11-9-27-10-12-29)14-18-6-2-3-7-19(18)15-22/h2-8,13,27H,9-12,14-16H2,1H3
InChIKeyPSGMCOWXVIKWME-UHFFFAOYSA-N
MW417.48 g/mol
LogP3.11
Rot. Bonds4

About N-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide

N-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide (PubChem CID 23147696) has the molecular formula C23H26F3N3O and a molecular weight of 417.48 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide
PubChem CID23147696
Molecular FormulaC23H26F3N3O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC NameN-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1(N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C23H26F3N3O/c1-28(16-17-5-4-8-20(13-17)23(24,25)26)21(30)22(29-11-9-27-10-12-29)14-18-6-2-3-7-19(18)15-22/h2-8,13,27H,9-12,14-16H2,1H3
InChIKeyPSGMCOWXVIKWME-UHFFFAOYSA-N
XLogP3.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 87734830
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
CID 142778646
N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
CID 87733801
N-[(3,5-difluorophenyl)methyl]-2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
CID 142778714
(1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
CID 69209514
N-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-dihydroinden-2-yl]methyl]methanamine
CID 142778631
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 87733796
N-[(3-chloro-5-fluorophenyl)methyl]-2-[4-[(3-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide
CID 142778675
1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine
CID 23147753
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 69207352
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
CID 11949318
N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 119737494

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide (CID 23147696) is N-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)C1(N2CCNCC2)Cc2ccccc2C1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide?
The InChIKey is PSGMCOWXVIKWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O/c1-28(16-17-5-4-8-20(13-17)23(24,25)26)21(30)22(29-11-9-27-10-12-29)14-18-6-2-3-7-19(18)15-22/h2-8,13,27H,9-12,14-16H2,1H3.
What are the key properties of N-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide?
N-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide has a molecular weight of 417.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 23147696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).