N,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide

C17H28F3N3O — CID 175260564

IUPACN,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide
SMILESCN(C)C(=O)C=C1CCC(CCN2CCN(C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H28F3N3O/c1-21(2)16(24)13-15-5-3-14(4-6-15)7-8-22-9-11-23(12-10-22)17(18,19)20/h13-14H,3-12H2,1-2H3/b15-13-
InChIKeyYNTRGVFPARTQGT-SQFISAMPSA-N
MW347.43 g/mol
LogP2.72
Rot. Bonds4

About N,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide

N,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide (PubChem CID 175260564) has the molecular formula C17H28F3N3O and a molecular weight of 347.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide
PubChem CID175260564
Molecular FormulaC17H28F3N3O
Molecular Weight347.43 g/mol
Exact Mass347.22
IUPAC NameN,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide
SMILESCN(C)C(=O)C=C1CCC(CCN2CCN(C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H28F3N3O/c1-21(2)16(24)13-15-5-3-14(4-6-15)7-8-22-9-11-23(12-10-22)17(18,19)20/h13-14H,3-12H2,1-2H3/b15-13-
InChIKeyYNTRGVFPARTQGT-SQFISAMPSA-N
XLogP2.72
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide (CID 175260564) is N,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide is CN(C)C(=O)C=C1CCC(CCN2CCN(C(F)(F)F)CC2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide?
The InChIKey is YNTRGVFPARTQGT-SQFISAMPSA-N. The full InChI is InChI=1S/C17H28F3N3O/c1-21(2)16(24)13-15-5-3-14(4-6-15)7-8-22-9-11-23(12-10-22)17(18,19)20/h13-14H,3-12H2,1-2H3/b15-13-.
What are the key properties of N,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide?
N,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide has a molecular weight of 347.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide is sourced from PubChem (CID 175260564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).