3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one

C23H27N3O2 — CID 56878785

IUPAC3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one
SMILESCN1C(=O)C(CC(=O)N2CCCNCC2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H27N3O2/c1-25-20-11-6-5-10-19(20)23(22(25)28,16-18-8-3-2-4-9-18)17-21(27)26-14-7-12-24-13-15-26/h2-6,8-11,24H,7,12-17H2,1H3
InChIKeyNPWBZFFIDKIIGT-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.36
Rot. Bonds4

About 3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one

3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one (PubChem CID 56878785) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one.

Molecular Properties

Compound Name3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one
PubChem CID56878785
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one
SMILESCN1C(=O)C(CC(=O)N2CCCNCC2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H27N3O2/c1-25-20-11-6-5-10-19(20)23(22(25)28,16-18-8-3-2-4-9-18)17-21(27)26-14-7-12-24-13-15-26/h2-6,8-11,24H,7,12-17H2,1H3
InChIKeyNPWBZFFIDKIIGT-UHFFFAOYSA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride
CID 154892331
(3S)-3-benzyl-3-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-1-methylindol-2-one
CID 95557356
(3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one
CID 95402504
3-benzyl-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56866029
(3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one
CID 95502874
(3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 95445255
1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile
CID 95525386
(3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one
CID 95528086
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide
CID 95400748
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
CID 95550196

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one?
The IUPAC name of 3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one (CID 56878785) is 3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one.
What is the SMILES notation for 3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one?
The canonical SMILES for 3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one is CN1C(=O)C(CC(=O)N2CCCNCC2)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one?
The InChIKey is NPWBZFFIDKIIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-25-20-11-6-5-10-19(20)23(22(25)28,16-18-8-3-2-4-9-18)17-21(27)26-14-7-12-24-13-15-26/h2-6,8-11,24H,7,12-17H2,1H3.
What are the key properties of 3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one?
3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one has a molecular weight of 377.49 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one is sourced from PubChem (CID 56878785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).