N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide

C30H33N3O3 — CID 157396417

IUPACN-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide
SMILESCOc1ccccc1-c1ccc(NC(=O)c2ccc(NCCN3CCCCC3)cc2)c2c1CCC2=O
InChIInChI=1S/C30H33N3O3/c1-36-28-8-4-3-7-24(28)23-13-15-26(29-25(23)14-16-27(29)34)32-30(35)21-9-11-22(12-10-21)31-17-20-33-18-5-2-6-19-33/h3-4,7-13,15,31H,2,5-6,14,16-20H2,1H3,(H,32,35)
InChIKeyBMPUQPKZVHWGME-UHFFFAOYSA-N
MW483.61 g/mol
LogP5.64
Rot. Bonds8

About N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide

N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide (PubChem CID 157396417) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide.

Molecular Properties

Compound NameN-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide
PubChem CID157396417
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC NameN-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide
SMILESCOc1ccccc1-c1ccc(NC(=O)c2ccc(NCCN3CCCCC3)cc2)c2c1CCC2=O
InChIInChI=1S/C30H33N3O3/c1-36-28-8-4-3-7-24(28)23-13-15-26(29-25(23)14-16-27(29)34)32-30(35)21-9-11-22(12-10-21)31-17-20-33-18-5-2-6-19-33/h3-4,7-13,15,31H,2,5-6,14,16-20H2,1H3,(H,32,35)
InChIKeyBMPUQPKZVHWGME-UHFFFAOYSA-N
XLogP5.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-oxo-7-phenylsulfanyl-1,2-dihydroinden-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 158600607
N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide
CID 159920274
N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 122639077
N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide
CID 147020302
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-[3-(4-methylpiperazin-1-yl)propylamino]benzamide
CID 122639476
N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide
CID 148771618
N-(7-anilino-3-oxo-1,2-dihydroisoindol-4-yl)-4-(2-piperidin-1-ylethylamino)benzamide;hydrochloride
CID 122639499
N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide
CID 160939097
4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide
CID 147109047
N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide
CID 160848649
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
N-[7-[(3-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide
CID 158367827

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide?
The IUPAC name of N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide (CID 157396417) is N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide.
What is the SMILES notation for N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide?
The canonical SMILES for N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide is COc1ccccc1-c1ccc(NC(=O)c2ccc(NCCN3CCCCC3)cc2)c2c1CCC2=O.
What is the InChIKey of N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide?
The InChIKey is BMPUQPKZVHWGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-36-28-8-4-3-7-24(28)23-13-15-26(29-25(23)14-16-27(29)34)32-30(35)21-9-11-22(12-10-21)31-17-20-33-18-5-2-6-19-33/h3-4,7-13,15,31H,2,5-6,14,16-20H2,1H3,(H,32,35).
What are the key properties of N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide?
N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide has a molecular weight of 483.61 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide is sourced from PubChem (CID 157396417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).