2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide

C24H29N3O2 — CID 95400748

IUPAC2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide
SMILESCN1C(=O)[C@@](CC(=O)NCC2CCNCC2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H29N3O2/c1-27-21-10-6-5-9-20(21)24(23(27)29,15-18-7-3-2-4-8-18)16-22(28)26-17-19-11-13-25-14-12-19/h2-10,19,25H,11-17H2,1H3,(H,26,28)/t24-/m1/s1
InChIKeyKHLCSWFBBZTFIZ-XMMPIXPASA-N
MW391.51 g/mol
LogP2.65
Rot. Bonds6

About 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide

2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide (PubChem CID 95400748) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide
PubChem CID95400748
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide
SMILESCN1C(=O)[C@@](CC(=O)NCC2CCNCC2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H29N3O2/c1-27-21-10-6-5-9-20(21)24(23(27)29,15-18-7-3-2-4-8-18)16-22(28)26-17-19-11-13-25-14-12-19/h2-10,19,25H,11-17H2,1H3,(H,26,28)/t24-/m1/s1
InChIKeyKHLCSWFBBZTFIZ-XMMPIXPASA-N
XLogP2.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 95555829
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide
CID 95556357
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-methoxyethyl)acetamide
CID 95551779
3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride
CID 154892331
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide
CID 56871682
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 56861384
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95553473
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
CID 56873886
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 95532207
3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56878785
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 95555980

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide (CID 95400748) is 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide is CN1C(=O)[C@@](CC(=O)NCC2CCNCC2)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide?
The InChIKey is KHLCSWFBBZTFIZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29N3O2/c1-27-21-10-6-5-9-20(21)24(23(27)29,15-18-7-3-2-4-8-18)16-22(28)26-17-19-11-13-25-14-12-19/h2-10,19,25H,11-17H2,1H3,(H,26,28)/t24-/m1/s1.
What are the key properties of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide?
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide has a molecular weight of 391.51 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide is sourced from PubChem (CID 95400748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).