4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide

C21H34F3N5OSi — CID 20728654

IUPAC4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C[Si](C)(C)c2cc(N3CCNCC3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H34F3N5OSi/c1-4-26-20(30)29-11-9-27(10-12-29)16-31(2,3)19-14-17(21(22,23)24)13-18(15-19)28-7-5-25-6-8-28/h13-15,25H,4-12,16H2,1-3H3,(H,26,30)
InChIKeyFOJFBKLAMXUOAC-UHFFFAOYSA-N
MW457.62 g/mol
LogP1.92
Rot. Bonds5

About 4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide

4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 20728654) has the molecular formula C21H34F3N5OSi and a molecular weight of 457.62 g/mol. Its IUPAC name is 4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide
PubChem CID20728654
Molecular FormulaC21H34F3N5OSi
Molecular Weight457.62 g/mol
Exact Mass457.25
IUPAC Name4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C[Si](C)(C)c2cc(N3CCNCC3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H34F3N5OSi/c1-4-26-20(30)29-11-9-27(10-12-29)16-31(2,3)19-14-17(21(22,23)24)13-18(15-19)28-7-5-25-6-8-28/h13-15,25H,4-12,16H2,1-3H3,(H,26,30)
InChIKeyFOJFBKLAMXUOAC-UHFFFAOYSA-N
XLogP1.92
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-ethylpiperazine-1-carboxamide
CID 9207783
1-[3-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 22345195
N-(3,3-dimethylbutyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38332211
N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide
CID 70382376
1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine
CID 162584678
N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103275
N-[(5-chloro-2-ethylsulfanylphenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide
CID 134548383
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200
N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride
CID 120980560
N,4-diethylpiperazine-1-carboxamide
CID 22309084
N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 165433778
1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593

Frequently Asked Questions

What is the IUPAC name of 4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide (CID 20728654) is 4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C[Si](C)(C)c2cc(N3CCNCC3)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is FOJFBKLAMXUOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34F3N5OSi/c1-4-26-20(30)29-11-9-27(10-12-29)16-31(2,3)19-14-17(21(22,23)24)13-18(15-19)28-7-5-25-6-8-28/h13-15,25H,4-12,16H2,1-3H3,(H,26,30).
What are the key properties of 4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide?
4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[dimethyl-[3-piperazin-1-yl-5-(trifluoromethyl)phenyl]silyl]methyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 20728654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).