(3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one

C23H25N3O3 — CID 95502874

IUPAC(3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one
SMILESCN1CCN(C(=O)C[C@@]2(Cc3ccccc3)C(=O)N(C)c3ccccc32)CC1=O
InChIInChI=1S/C23H25N3O3/c1-24-12-13-26(16-21(24)28)20(27)15-23(14-17-8-4-3-5-9-17)18-10-6-7-11-19(18)25(2)22(23)29/h3-11H,12-16H2,1-2H3/t23-/m1/s1
InChIKeyDVUUFETYKFNJAP-HSZRJFAPSA-N
MW391.47 g/mol
LogP1.83
Rot. Bonds4

About (3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one

(3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one (PubChem CID 95502874) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name(3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one
PubChem CID95502874
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one
SMILESCN1CCN(C(=O)C[C@@]2(Cc3ccccc3)C(=O)N(C)c3ccccc32)CC1=O
InChIInChI=1S/C23H25N3O3/c1-24-12-13-26(16-21(24)28)20(27)15-23(14-17-8-4-3-5-9-17)18-10-6-7-11-19(18)25(2)22(23)29/h3-11H,12-16H2,1-2H3/t23-/m1/s1
InChIKeyDVUUFETYKFNJAP-HSZRJFAPSA-N
XLogP1.83
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one with MolForge

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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
1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile
CID 95525386
(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-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N,N-bis(2-hydroxyethyl)acetamide
CID 56877849
(3S)-3-benzyl-3-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-1-methylindol-2-one
CID 95557356
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
CID 95550196
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-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 95532207

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one?
The IUPAC name of (3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one (CID 95502874) is (3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one.
What is the SMILES notation for (3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one?
The canonical SMILES for (3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one is CN1CCN(C(=O)C[C@@]2(Cc3ccccc3)C(=O)N(C)c3ccccc32)CC1=O.
What is the InChIKey of (3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one?
The InChIKey is DVUUFETYKFNJAP-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-24-12-13-26(16-21(24)28)20(27)15-23(14-17-8-4-3-5-9-17)18-10-6-7-11-19(18)25(2)22(23)29/h3-11H,12-16H2,1-2H3/t23-/m1/s1.
What are the key properties of (3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one?
(3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one has a molecular weight of 391.47 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one is sourced from PubChem (CID 95502874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).