5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C23H25N3O3 — CID 55959743

IUPAC5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2c1
InChIInChI=1S/C23H25N3O3/c1-16-3-8-20-19(13-16)14-21(29-20)22(27)24-15-17-4-6-18(7-5-17)23(28)26-11-9-25(2)10-12-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,27)
InChIKeyJZTBEDIEQRPUJD-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.06
Rot. Bonds4

About 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide

5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 55959743) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID55959743
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2c1
InChIInChI=1S/C23H25N3O3/c1-16-3-8-20-19(13-16)14-21(29-20)22(27)24-15-17-4-6-18(7-5-17)23(28)26-11-9-25(2)10-12-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,27)
InChIKeyJZTBEDIEQRPUJD-UHFFFAOYSA-N
XLogP3.06
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]furan-2-carboxamide
CID 55708979
N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide
CID 137452341
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 55960779
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
(E)-3-(3-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]prop-2-enamide
CID 55708952
5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 55780170
2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 55709108
(1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725716
4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641567
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115319732
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55725492

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 55959743) is 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2c1.
What is the InChIKey of 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is JZTBEDIEQRPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-3-8-20-19(13-16)14-21(29-20)22(27)24-15-17-4-6-18(7-5-17)23(28)26-11-9-25(2)10-12-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,27).
What are the key properties of 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55959743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).