4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide

C28H31N3O3 — CID 139916931

IUPAC4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(C(=O)N(C)c2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C28H31N3O3/c1-30(24-11-5-6-12-25(24)31-18-8-3-9-19-31)28(33)21-14-16-23(17-15-21)29-27(32)20-22-10-4-7-13-26(22)34-2/h4-7,10-17H,3,8-9,18-20H2,1-2H3,(H,29,32)
InChIKeyPSCUFUVWMPGIDI-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.14
Rot. Bonds7

About 4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide

4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 139916931) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID139916931
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(C(=O)N(C)c2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C28H31N3O3/c1-30(24-11-5-6-12-25(24)31-18-8-3-9-19-31)28(33)21-14-16-23(17-15-21)29-27(32)20-22-10-4-7-13-26(22)34-2/h4-7,10-17H,3,8-9,18-20H2,1-2H3,(H,29,32)
InChIKeyPSCUFUVWMPGIDI-UHFFFAOYSA-N
XLogP5.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298244
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CID 113162989
N-(4-bromophenyl)-2-(2-methoxyphenyl)acetamide
CID 2263112
2-(2-methoxyphenyl)-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666745
2-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide
CID 110729427
2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108922586
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenyl)acetamide
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2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056
1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47032789

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide (CID 139916931) is 4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide is COc1ccccc1CC(=O)Nc1ccc(C(=O)N(C)c2ccccc2N2CCCCC2)cc1.
What is the InChIKey of 4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is PSCUFUVWMPGIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-30(24-11-5-6-12-25(24)31-18-8-3-9-19-31)28(33)21-14-16-23(17-15-21)29-27(32)20-22-10-4-7-13-26(22)34-2/h4-7,10-17H,3,8-9,18-20H2,1-2H3,(H,29,32).
What are the key properties of 4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide?
4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide has a molecular weight of 457.57 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 139916931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).