3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide

C17H20F3N3O2 — CID 120812155

IUPAC3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(N2CCNCC2)C(F)(F)F)oc2ccccc12
InChIInChI=1S/C17H20F3N3O2/c1-11-12-4-2-3-5-13(12)25-15(11)16(24)22-10-14(17(18,19)20)23-8-6-21-7-9-23/h2-5,14,21H,6-10H2,1H3,(H,22,24)
InChIKeyWFFFNIBHOMRXLV-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.31
Rot. Bonds4

About 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide

3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 120812155) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide
PubChem CID120812155
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(N2CCNCC2)C(F)(F)F)oc2ccccc12
InChIInChI=1S/C17H20F3N3O2/c1-11-12-4-2-3-5-13(12)25-15(11)16(24)22-10-14(17(18,19)20)23-8-6-21-7-9-23/h2-5,14,21H,6-10H2,1H3,(H,22,24)
InChIKeyWFFFNIBHOMRXLV-UHFFFAOYSA-N
XLogP2.31
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
CID 120812827
2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812591
6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811330
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321
2-propan-2-ylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813410
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813497
5-bromo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 120812658
2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813829
4-fluoro-3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide
CID 120811663
2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811797
2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811339

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide (CID 120812155) is 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCC(N2CCNCC2)C(F)(F)F)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is WFFFNIBHOMRXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-11-12-4-2-3-5-13(12)25-15(11)16(24)22-10-14(17(18,19)20)23-8-6-21-7-9-23/h2-5,14,21H,6-10H2,1H3,(H,22,24).
What are the key properties of 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 120812155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).