N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide

C17H24F3N3O2 — CID 55626011

IUPACN,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide
SMILESCN(C)C(=O)CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H24F3N3O2/c1-21(2)16(24)7-8-22-9-11-23(12-10-22)13-14-3-5-15(6-4-14)25-17(18,19)20/h3-6H,7-13H2,1-2H3
InChIKeyYJLOFQQLKPTAHH-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.18
Rot. Bonds6

About N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide

N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide (PubChem CID 55626011) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide
PubChem CID55626011
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC NameN,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide
SMILESCN(C)C(=O)CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H24F3N3O2/c1-21(2)16(24)7-8-22-9-11-23(12-10-22)13-14-3-5-15(6-4-14)25-17(18,19)20/h3-6H,7-13H2,1-2H3
InChIKeyYJLOFQQLKPTAHH-UHFFFAOYSA-N
XLogP2.18
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
N-(2,6-dichlorophenyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide
CID 35162697
1-[3-oxo-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 47025565
N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 86869704
N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60926600
1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 55598245
N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 35160115
3-(4-fluoro-N-[2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]anilino)propanamide
CID 35162340
tert-butyl N-[3-oxo-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propyl]carbamate
CID 37358995
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetonitrile
CID 51078356
3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 30750718

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide (CID 55626011) is N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide is CN(C)C(=O)CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide?
The InChIKey is YJLOFQQLKPTAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-21(2)16(24)7-8-22-9-11-23(12-10-22)13-14-3-5-15(6-4-14)25-17(18,19)20/h3-6H,7-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide?
N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide has a molecular weight of 359.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55626011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).