N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide

C18H22F3N3O2 — CID 39569178

IUPACN-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H22F3N3O2/c1-2-22-16(25)13-23-9-11-24(12-10-23)17(26)8-5-14-3-6-15(7-4-14)18(19,20)21/h3-8H,2,9-13H2,1H3,(H,22,25)/b8-5+
InChIKeyIKQCGSQRMRGJNK-VMPITWQZSA-N
MW369.39 g/mol
LogP2.00
Rot. Bonds5

About N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide (PubChem CID 39569178) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
PubChem CID39569178
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC NameN-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H22F3N3O2/c1-2-22-16(25)13-23-9-11-24(12-10-23)17(26)8-5-14-3-6-15(7-4-14)18(19,20)21/h3-8H,2,9-13H2,1H3,(H,22,25)/b8-5+
InChIKeyIKQCGSQRMRGJNK-VMPITWQZSA-N
XLogP2.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
CID 30457276
N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 165433778
4-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylic acid
CID 130454938
N-[4-[(E)-3-oxo-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]phenyl]methanesulfonamide
CID 31293430
4-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,4-diazepane-1-carboxamide
CID 72687307
N-(2,6-dimethylphenyl)-2-[4-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
CID 39761771
N-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide
CID 75408409
ethyl 1-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate
CID 102603299
(E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 9154747
N-cyclopropyl-4-[(E)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 39633785
(E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 9158421
N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride
CID 173287477

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide (CID 39569178) is N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide?
The InChIKey is IKQCGSQRMRGJNK-VMPITWQZSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-2-22-16(25)13-23-9-11-24(12-10-23)17(26)8-5-14-3-6-15(7-4-14)18(19,20)21/h3-8H,2,9-13H2,1H3,(H,22,25)/b8-5+.
What are the key properties of N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide has a molecular weight of 369.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 39569178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).