N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide

C24H28F3N3O2 — CID 70693582

IUPACN-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCNC(=O)c1ccc(CC(=O)N(C)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C24H28F3N3O2/c1-28-23(32)19-7-3-17(4-8-19)15-22(31)29(2)21-11-13-30(14-12-21)16-18-5-9-20(10-6-18)24(25,26)27/h3-10,21H,11-16H2,1-2H3,(H,28,32)
InChIKeyHREXSEDWNZLPCX-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.73
Rot. Bonds6

About N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide

N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide (PubChem CID 70693582) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
PubChem CID70693582
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC NameN-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCNC(=O)c1ccc(CC(=O)N(C)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C24H28F3N3O2/c1-28-23(32)19-7-3-17(4-8-19)15-22(31)29(2)21-11-13-30(14-12-21)16-18-5-9-20(10-6-18)24(25,26)27/h3-10,21H,11-16H2,1-2H3,(H,28,32)
InChIKeyHREXSEDWNZLPCX-UHFFFAOYSA-N
XLogP3.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

AR-M1000390
CID 9841259
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
ChiRYun
CID 389617
N-4-Piperidylbenzamide
CID 118120
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
4-((3R)-3-((2-(4-fluorophenyl)-2-oxoethyl)amino)butyl)benzamide
CID 15991577
N-(N-benzylpiperidin-4-yl)-4-iodobenzamide
CID 132995

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide (CID 70693582) is N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide is CNC(=O)c1ccc(CC(=O)N(C)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is HREXSEDWNZLPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c1-28-23(32)19-7-3-17(4-8-19)15-22(31)29(2)21-11-13-30(14-12-21)16-18-5-9-20(10-6-18)24(25,26)27/h3-10,21H,11-16H2,1-2H3,(H,28,32).
What are the key properties of N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 447.50 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 70693582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).