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

C22H22ClN3O3 — CID 10273081

IUPAC2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
SMILESO=C1Cc2cc(NC(=O)C(=O)N3CCC(Cc4ccc(Cl)cc4)CC3)ccc2N1
InChIInChI=1S/C22H22ClN3O3/c23-17-3-1-14(2-4-17)11-15-7-9-26(10-8-15)22(29)21(28)24-18-5-6-19-16(12-18)13-20(27)25-19/h1-6,12,15H,7-11,13H2,(H,24,28)(H,25,27)
InChIKeyMGMAEBJKDLKCIH-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.25
Rot. Bonds3

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

2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide (PubChem CID 10273081) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
PubChem CID10273081
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
SMILESO=C1Cc2cc(NC(=O)C(=O)N3CCC(Cc4ccc(Cl)cc4)CC3)ccc2N1
InChIInChI=1S/C22H22ClN3O3/c23-17-3-1-14(2-4-17)11-15-7-9-26(10-8-15)22(29)21(28)24-18-5-6-19-16(12-18)13-20(27)25-19/h1-6,12,15H,7-11,13H2,(H,24,28)(H,25,27)
InChIKeyMGMAEBJKDLKCIH-UHFFFAOYSA-N
XLogP3.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one
CID 10293201
2-(4-benzylpiperidin-1-yl)-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 69100489
2-(4-benzylpiperidin-1-yl)-N-(2,5-dichlorophenyl)-2-oxoacetamide
CID 108500909
2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 87039947
N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 108507023
3-cyclopentyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 18570800
4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 50983263
N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 69100099
5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
CID 82231323
2-(4-benzylpiperidin-1-yl)-N-(4-tert-butylphenyl)-2-oxoacetamide
CID 108507060
1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 72849724
5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one
CID 116926337

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide (CID 10273081) is 2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide is O=C1Cc2cc(NC(=O)C(=O)N3CCC(Cc4ccc(Cl)cc4)CC3)ccc2N1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
The InChIKey is MGMAEBJKDLKCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c23-17-3-1-14(2-4-17)11-15-7-9-26(10-8-15)22(29)21(28)24-18-5-6-19-16(12-18)13-20(27)25-19/h1-6,12,15H,7-11,13H2,(H,24,28)(H,25,27).
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide has a molecular weight of 411.89 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide is sourced from PubChem (CID 10273081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).