N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide

C28H29N3O3 — CID 46270053

IUPACN-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
SMILESCOc1ccc(C(c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C28H29N3O3/c1-30-16-18-31(19-17-30)26(20-12-14-22(33-2)15-13-20)27-25(23-10-6-7-11-24(23)34-27)29-28(32)21-8-4-3-5-9-21/h3-15,26H,16-19H2,1-2H3,(H,29,32)
InChIKeyNTXCOCRBLOLLQB-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.03
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide

N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide (PubChem CID 46270053) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
PubChem CID46270053
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
SMILESCOc1ccc(C(c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C28H29N3O3/c1-30-16-18-31(19-17-30)26(20-12-14-22(33-2)15-13-20)27-25(23-10-6-7-11-24(23)34-27)29-28(32)21-8-4-3-5-9-21/h3-15,26H,16-19H2,1-2H3,(H,29,32)
InChIKeyNTXCOCRBLOLLQB-UHFFFAOYSA-N
XLogP5.03
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899135
N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 92765199
N-[2-[(R)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500969
N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500970
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501103
N-[2-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270061
N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899146
N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501051
N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92765182
4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 92501125
N-[2-[(S)-(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]-4-methylbenzamide
CID 92765223
4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926026

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide (CID 46270053) is N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide is COc1ccc(C(c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The InChIKey is NTXCOCRBLOLLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-30-16-18-31(19-17-30)26(20-12-14-22(33-2)15-13-20)27-25(23-10-6-7-11-24(23)34-27)29-28(32)21-8-4-3-5-9-21/h3-15,26H,16-19H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide has a molecular weight of 455.56 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 46270053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).