N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide

C23H28F3N3O4 — CID 42779894

IUPACN-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide
SMILESCOCCN(CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccoc1C
InChIInChI=1S/C23H28F3N3O4/c1-17-20(7-14-33-17)22(31)29(13-15-32-2)8-6-21(30)28-11-9-27(10-12-28)19-5-3-4-18(16-19)23(24,25)26/h3-5,7,14,16H,6,8-13,15H2,1-2H3
InChIKeyLNECWKHFPFBAAE-UHFFFAOYSA-N
MW467.49 g/mol
LogP3.43
Rot. Bonds8

About N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide

N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide (PubChem CID 42779894) has the molecular formula C23H28F3N3O4 and a molecular weight of 467.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide
PubChem CID42779894
Molecular FormulaC23H28F3N3O4
Molecular Weight467.49 g/mol
Exact Mass467.20
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide
SMILESCOCCN(CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccoc1C
InChIInChI=1S/C23H28F3N3O4/c1-17-20(7-14-33-17)22(31)29(13-15-32-2)8-6-21(30)28-11-9-27(10-12-28)19-5-3-4-18(16-19)23(24,25)26/h3-5,7,14,16H,6,8-13,15H2,1-2H3
InChIKeyLNECWKHFPFBAAE-UHFFFAOYSA-N
XLogP3.43
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-5-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 4302470
4-chloro-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 5222838
2-[[(2-methoxyethylamino)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 111541344
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butane-1,4-dione
CID 56560018
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 113159858
2,2,2-trifluoroethyl N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 78905464
[3-(2-methoxyethoxy)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 55997430
4-(4-acetyl-2-methoxyphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 55740540
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide
CID 30276724
N-[(4-methylphenyl)methyl]-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]methanesulfonamide
CID 100726005
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide
CID 5127582

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide (CID 42779894) is N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide is COCCN(CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccoc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide?
The InChIKey is LNECWKHFPFBAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O4/c1-17-20(7-14-33-17)22(31)29(13-15-32-2)8-6-21(30)28-11-9-27(10-12-28)19-5-3-4-18(16-19)23(24,25)26/h3-5,7,14,16H,6,8-13,15H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide?
N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide has a molecular weight of 467.49 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide is sourced from PubChem (CID 42779894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).