1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile

C24H25N3O2 — CID 95525386

IUPAC1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile
SMILESCN1C(=O)[C@](CC(=O)N2CCC(C#N)CC2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H25N3O2/c1-26-21-10-6-5-9-20(21)24(23(26)29,15-18-7-3-2-4-8-18)16-22(28)27-13-11-19(17-25)12-14-27/h2-10,19H,11-16H2,1H3/t24-/m0/s1
InChIKeyPFUYAZKJXLBDFF-DEOSSOPVSA-N
MW387.48 g/mol
LogP3.30
Rot. Bonds4

About 1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile

1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile (PubChem CID 95525386) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile
PubChem CID95525386
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile
SMILESCN1C(=O)[C@](CC(=O)N2CCC(C#N)CC2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H25N3O2/c1-26-21-10-6-5-9-20(21)24(23(26)29,15-18-7-3-2-4-8-18)16-22(28)27-13-11-19(17-25)12-14-27/h2-10,19H,11-16H2,1H3/t24-/m0/s1
InChIKeyPFUYAZKJXLBDFF-DEOSSOPVSA-N
XLogP3.30
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56866029
3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride
CID 154892331
(3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 95445255
3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56878785
(3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one
CID 95502874
(3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one
CID 95402504
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide
CID 95556357
1-(2-phenylacetyl)piperidine-4-carbonitrile
CID 39247378
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide
CID 95400748
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 95555829
(3S)-3-benzyl-3-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-1-methylindol-2-one
CID 95557356

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile (CID 95525386) is 1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile is CN1C(=O)[C@](CC(=O)N2CCC(C#N)CC2)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile?
The InChIKey is PFUYAZKJXLBDFF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-26-21-10-6-5-9-20(21)24(23(26)29,15-18-7-3-2-4-8-18)16-22(28)27-13-11-19(17-25)12-14-27/h2-10,19H,11-16H2,1H3/t24-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile?
1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile has a molecular weight of 387.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile is sourced from PubChem (CID 95525386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).