4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C24H29F3N4O4 — CID 42725485

IUPAC4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCCC(C)C(NC(=O)c1ccco1)C(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C1
InChIInChI=1S/C24H29F3N4O4/c1-4-15(2)20(29-21(32)19-9-6-12-35-19)22(33)30-10-11-31(16(3)14-30)23(34)28-18-8-5-7-17(13-18)24(25,26)27/h5-9,12-13,15-16,20H,4,10-11,14H2,1-3H3,(H,28,34)(H,29,32)
InChIKeySJJVQDBNWZGNJF-UHFFFAOYSA-N
MW494.51 g/mol
LogP4.21
Rot. Bonds6

About 4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 42725485) has the molecular formula C24H29F3N4O4 and a molecular weight of 494.51 g/mol. Its IUPAC name is 4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID42725485
Molecular FormulaC24H29F3N4O4
Molecular Weight494.51 g/mol
Exact Mass494.21
IUPAC Name4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCCC(C)C(NC(=O)c1ccco1)C(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C1
InChIInChI=1S/C24H29F3N4O4/c1-4-15(2)20(29-21(32)19-9-6-12-35-19)22(33)30-10-11-31(16(3)14-30)23(34)28-18-8-5-7-17(13-18)24(25,26)27/h5-9,12-13,15-16,20H,4,10-11,14H2,1-3H3,(H,28,34)(H,29,32)
InChIKeySJJVQDBNWZGNJF-UHFFFAOYSA-N
XLogP4.21
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-[2-[(4-butylbenzoyl)amino]-3-methylpentanoyl]-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 4675891
4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42710452
4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42710442
4-[2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-methylpentanoyl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide
CID 42724978
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide
CID 42708341
2-methyl-4-[3-methyl-2-[(2-phenylacetyl)amino]pentanoyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 4539298
4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 42695544
4-[3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4002239
N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
CID 51954176
N-(4-chlorophenyl)-2-methyl-4-[3-methyl-2-(2-phenylbutanoylamino)pentanoyl]piperazine-1-carboxamide
CID 42725007
N-(4-chlorophenyl)-4-[2-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
CID 42725006

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 42725485) is 4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CCC(C)C(NC(=O)c1ccco1)C(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C1.
What is the InChIKey of 4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is SJJVQDBNWZGNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O4/c1-4-15(2)20(29-21(32)19-9-6-12-35-19)22(33)30-10-11-31(16(3)14-30)23(34)28-18-8-5-7-17(13-18)24(25,26)27/h5-9,12-13,15-16,20H,4,10-11,14H2,1-3H3,(H,28,34)(H,29,32).
What are the key properties of 4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 494.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 42725485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).