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

C28H28N2O2 — CID 92501125

IUPAC4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2c([C@H](c3ccccc3)N3CCCCC3)oc3ccccc23)cc1
InChIInChI=1S/C28H28N2O2/c1-20-14-16-22(17-15-20)28(31)29-25-23-12-6-7-13-24(23)32-27(25)26(21-10-4-2-5-11-21)30-18-8-3-9-19-30/h2,4-7,10-17,26H,3,8-9,18-19H2,1H3,(H,29,31)/t26-/m0/s1
InChIKeyPGDGNMASIUSAQI-SANMLTNESA-N
MW424.54 g/mol
LogP6.57
Rot. Bonds5

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

4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide (PubChem CID 92501125) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
PubChem CID92501125
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2c([C@H](c3ccccc3)N3CCCCC3)oc3ccccc23)cc1
InChIInChI=1S/C28H28N2O2/c1-20-14-16-22(17-15-20)28(31)29-25-23-12-6-7-13-24(23)32-27(25)26(21-10-4-2-5-11-21)30-18-8-3-9-19-30/h2,4-7,10-17,26H,3,8-9,18-19H2,1H3,(H,29,31)/t26-/m0/s1
InChIKeyPGDGNMASIUSAQI-SANMLTNESA-N
XLogP6.57
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270087
4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270083
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501103
N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501081
N-[2-[(S)-(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]-4-methylbenzamide
CID 92765223
4-methyl-N-[2-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270089
N-[2-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270061
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
N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92501004
N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501068
N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899135

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide (CID 92501125) is 4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide is Cc1ccc(C(=O)Nc2c([C@H](c3ccccc3)N3CCCCC3)oc3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The InChIKey is PGDGNMASIUSAQI-SANMLTNESA-N. The full InChI is InChI=1S/C28H28N2O2/c1-20-14-16-22(17-15-20)28(31)29-25-23-12-6-7-13-24(23)32-27(25)26(21-10-4-2-5-11-21)30-18-8-3-9-19-30/h2,4-7,10-17,26H,3,8-9,18-19H2,1H3,(H,29,31)/t26-/m0/s1.
What are the key properties of 4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide has a molecular weight of 424.54 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 92501125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).