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

C29H30N2O3 — CID 20899135

IUPACN-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
SMILESCOc1ccc(C(c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCC(C)CC2)cc1
InChIInChI=1S/C29H30N2O3/c1-20-16-18-31(19-17-20)27(21-12-14-23(33-2)15-13-21)28-26(24-10-6-7-11-25(24)34-28)30-29(32)22-8-4-3-5-9-22/h3-15,20,27H,16-19H2,1-2H3,(H,30,32)
InChIKeySKCAYPYPPGIUFW-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.51
Rot. Bonds6

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

N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide (PubChem CID 20899135) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
PubChem CID20899135
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC NameN-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
SMILESCOc1ccc(C(c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCC(C)CC2)cc1
InChIInChI=1S/C29H30N2O3/c1-20-16-18-31(19-17-20)27(21-12-14-23(33-2)15-13-21)28-26(24-10-6-7-11-25(24)34-28)30-29(32)22-8-4-3-5-9-22/h3-15,20,27H,16-19H2,1-2H3,(H,30,32)
InChIKeySKCAYPYPPGIUFW-UHFFFAOYSA-N
XLogP6.51
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide (CID 20899135) is N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide is COc1ccc(C(c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCC(C)CC2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The InChIKey is SKCAYPYPPGIUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-20-16-18-31(19-17-20)27(21-12-14-23(33-2)15-13-21)28-26(24-10-6-7-11-25(24)34-28)30-29(32)22-8-4-3-5-9-22/h3-15,20,27H,16-19H2,1-2H3,(H,30,32).
What are the key properties of N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide has a molecular weight of 454.57 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 20899135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).