2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide

C23H25N3O3 — CID 10135057

IUPAC2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
SMILESCc1ccc(CC2CCN(C(=O)C(=O)Nc3ccc4c(c3)CC(=O)N4)CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-19-6-7-20-18(13-19)14-21(27)25-20/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyOVFADTJTEQNGRZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.91
Rot. Bonds3

About 2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide

2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide (PubChem CID 10135057) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
PubChem CID10135057
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
SMILESCc1ccc(CC2CCN(C(=O)C(=O)Nc3ccc4c(c3)CC(=O)N4)CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-19-6-7-20-18(13-19)14-21(27)25-20/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyOVFADTJTEQNGRZ-UHFFFAOYSA-N
XLogP2.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
The IUPAC name of 2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide (CID 10135057) is 2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide is Cc1ccc(CC2CCN(C(=O)C(=O)Nc3ccc4c(c3)CC(=O)N4)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
The InChIKey is OVFADTJTEQNGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-19-6-7-20-18(13-19)14-21(27)25-20/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide is sourced from PubChem (CID 10135057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).