N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide

C23H28F3N3O — CID 42852643

IUPACN-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide
SMILESO=C(Cc1ccc(NCc2cccc(C(F)(F)F)c2)cc1)NCCN1CCCCC1
InChIInChI=1S/C23H28F3N3O/c24-23(25,26)20-6-4-5-19(15-20)17-28-21-9-7-18(8-10-21)16-22(30)27-11-14-29-12-2-1-3-13-29/h4-10,15,28H,1-3,11-14,16-17H2,(H,27,30)
InChIKeyLOGBGFVRDLTKIR-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.46
Rot. Bonds8

About N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide

N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide (PubChem CID 42852643) has the molecular formula C23H28F3N3O and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide
PubChem CID42852643
Molecular FormulaC23H28F3N3O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC NameN-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide
SMILESO=C(Cc1ccc(NCc2cccc(C(F)(F)F)c2)cc1)NCCN1CCCCC1
InChIInChI=1S/C23H28F3N3O/c24-23(25,26)20-6-4-5-19(15-20)17-28-21-9-7-18(8-10-21)16-22(30)27-11-14-29-12-2-1-3-13-29/h4-10,15,28H,1-3,11-14,16-17H2,(H,27,30)
InChIKeyLOGBGFVRDLTKIR-UHFFFAOYSA-N
XLogP4.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 54807271
3-[[4-(2-piperidin-1-ylethyl)anilino]methyl]benzoic acid
CID 122029535
2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42852645
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide
CID 122150328
N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline
CID 62646483
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265
4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 65025403
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 39513052
2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61240014

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide (CID 42852643) is N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide is O=C(Cc1ccc(NCc2cccc(C(F)(F)F)c2)cc1)NCCN1CCCCC1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide?
The InChIKey is LOGBGFVRDLTKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O/c24-23(25,26)20-6-4-5-19(15-20)17-28-21-9-7-18(8-10-21)16-22(30)27-11-14-29-12-2-1-3-13-29/h4-10,15,28H,1-3,11-14,16-17H2,(H,27,30).
What are the key properties of N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide?
N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide has a molecular weight of 419.49 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide is sourced from PubChem (CID 42852643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).