N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C18H23F3N4O2 — CID 122556418

IUPACN-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCCN1CC(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1=O
InChIInChI=1S/C18H23F3N4O2/c1-2-23-12-14(11-16(23)26)22-17(27)25-8-6-24(7-9-25)15-5-3-4-13(10-15)18(19,20)21/h3-5,10,14H,2,6-9,11-12H2,1H3,(H,22,27)
InChIKeyDMEMPDJDNLWSMX-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.16
Rot. Bonds3

About N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 122556418) has the molecular formula C18H23F3N4O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID122556418
Molecular FormulaC18H23F3N4O2
Molecular Weight384.40 g/mol
Exact Mass384.18
IUPAC NameN-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCCN1CC(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1=O
InChIInChI=1S/C18H23F3N4O2/c1-2-23-12-14(11-16(23)26)22-17(27)25-8-6-24(7-9-25)15-5-3-4-13(10-15)18(19,20)21/h3-5,10,14H,2,6-9,11-12H2,1H3,(H,22,27)
InChIKeyDMEMPDJDNLWSMX-UHFFFAOYSA-N
XLogP2.16
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113109725
4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide
CID 126434894
N-(3,3-dimethylbutyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38332211
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122016509
methyl (2S,3S)-3-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]pentanoate
CID 40576416
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
CID 22163785
tert-butyl N-[3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]carbamate;propane
CID 143164079
4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490033
4-(4-acetylphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 43970230
1-(furan-2-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 44777878
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4600175

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 122556418) is N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CCN1CC(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1=O.
What is the InChIKey of N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is DMEMPDJDNLWSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O2/c1-2-23-12-14(11-16(23)26)22-17(27)25-8-6-24(7-9-25)15-5-3-4-13(10-15)18(19,20)21/h3-5,10,14H,2,6-9,11-12H2,1H3,(H,22,27).
What are the key properties of N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 122556418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).