4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide

C15H18F3N3O3 — CID 138050957

IUPAC4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide
SMILESCN1CC(C(=O)NCCc2ccc(OC(F)(F)F)cc2)NCC1=O
InChIInChI=1S/C15H18F3N3O3/c1-21-9-12(20-8-13(21)22)14(23)19-7-6-10-2-4-11(5-3-10)24-15(16,17)18/h2-5,12,20H,6-9H2,1H3,(H,19,23)
InChIKeyOSNRPZGUJYHMQO-UHFFFAOYSA-N
MW345.32 g/mol
LogP0.67
Rot. Bonds5

About 4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide

4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide (PubChem CID 138050957) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide
PubChem CID138050957
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide
SMILESCN1CC(C(=O)NCCc2ccc(OC(F)(F)F)cc2)NCC1=O
InChIInChI=1S/C15H18F3N3O3/c1-21-9-12(20-8-13(21)22)14(23)19-7-6-10-2-4-11(5-3-10)24-15(16,17)18/h2-5,12,20H,6-9H2,1H3,(H,19,23)
InChIKeyOSNRPZGUJYHMQO-UHFFFAOYSA-N
XLogP0.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 119721497
1-(1,1-dioxothiolan-3-yl)-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 47043800
N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433442
2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide
CID 47043798
(3S,4R)-N-(2-phenylethyl)-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 68609563
(3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide
CID 94109320
2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119721542
4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 47043794
1-(1-cyclopropylethyl)-1-methyl-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]urea
CID 87006788
3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288366
(3S)-N-(3-methoxypropyl)-5-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 93018135
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide?
The IUPAC name of 4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide (CID 138050957) is 4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide.
What is the SMILES notation for 4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide?
The canonical SMILES for 4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide is CN1CC(C(=O)NCCc2ccc(OC(F)(F)F)cc2)NCC1=O.
What is the InChIKey of 4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide?
The InChIKey is OSNRPZGUJYHMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-21-9-12(20-8-13(21)22)14(23)19-7-6-10-2-4-11(5-3-10)24-15(16,17)18/h2-5,12,20H,6-9H2,1H3,(H,19,23).
What are the key properties of 4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide?
4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 138050957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).