4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide

C27H27N3O2 — CID 46270083

IUPAC4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2c(C(c3cccnc3)N3CCCCC3)oc3ccccc23)cc1
InChIInChI=1S/C27H27N3O2/c1-19-11-13-20(14-12-19)27(31)29-24-22-9-3-4-10-23(22)32-26(24)25(21-8-7-15-28-18-21)30-16-5-2-6-17-30/h3-4,7-15,18,25H,2,5-6,16-17H2,1H3,(H,29,31)
InChIKeyRTUGLMZDEAWKMG-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.96
Rot. Bonds5

About 4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide

4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide (PubChem CID 46270083) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide
PubChem CID46270083
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2c(C(c3cccnc3)N3CCCCC3)oc3ccccc23)cc1
InChIInChI=1S/C27H27N3O2/c1-19-11-13-20(14-12-19)27(31)29-24-22-9-3-4-10-23(22)32-26(24)25(21-8-7-15-28-18-21)30-16-5-2-6-17-30/h3-4,7-15,18,25H,2,5-6,16-17H2,1H3,(H,29,31)
InChIKeyRTUGLMZDEAWKMG-UHFFFAOYSA-N
XLogP5.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 92501125
4-methyl-N-[2-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270087
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501103
N-[2-[(S)-(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]-4-methylbenzamide
CID 92765223
N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501081
4-methyl-N-[2-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270089
N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92501004
N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide
CID 46270093
N-[2-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270061
N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501068
N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270053
N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899146

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide (CID 46270083) is 4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide is Cc1ccc(C(=O)Nc2c(C(c3cccnc3)N3CCCCC3)oc3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide?
The InChIKey is RTUGLMZDEAWKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-19-11-13-20(14-12-19)27(31)29-24-22-9-3-4-10-23(22)32-26(24)25(21-8-7-15-28-18-21)30-16-5-2-6-17-30/h3-4,7-15,18,25H,2,5-6,16-17H2,1H3,(H,29,31).
What are the key properties of 4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide?
4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide has a molecular weight of 425.53 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 46270083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).