(3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one

C17H23N3O3 — CID 97191684

IUPAC(3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESC[C@@H](O)CN1CCN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C17H23N3O3/c1-12(21)11-19-6-8-20(9-7-19)16(22)10-14-13-4-2-3-5-15(13)18-17(14)23/h2-5,12,14,21H,6-11H2,1H3,(H,18,23)/t12-,14+/m1/s1
InChIKeyKLYSZPIUXVRPKJ-OCCSQVGLSA-N
MW317.39 g/mol
LogP0.64
Rot. Bonds4

About (3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one

(3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one (PubChem CID 97191684) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
PubChem CID97191684
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESC[C@@H](O)CN1CCN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C17H23N3O3/c1-12(21)11-19-6-8-20(9-7-19)16(22)10-14-13-4-2-3-5-15(13)18-17(14)23/h2-5,12,14,21H,6-11H2,1H3,(H,18,23)/t12-,14+/m1/s1
InChIKeyKLYSZPIUXVRPKJ-OCCSQVGLSA-N
XLogP0.64
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694625
4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110694594
3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694583
1-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperidine-4-carboxamide
CID 110694627
3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694649
(3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 129369125
3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 167811788
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 86867538
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 134813181
(3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 95275178
[(1R)-2,3-dihydro-1H-inden-1-yl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607316
3-(1-piperidin-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43749073

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one (CID 97191684) is (3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one is C[C@@H](O)CN1CCN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CC1.
What is the InChIKey of (3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The InChIKey is KLYSZPIUXVRPKJ-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(21)11-19-6-8-20(9-7-19)16(22)10-14-13-4-2-3-5-15(13)18-17(14)23/h2-5,12,14,21H,6-11H2,1H3,(H,18,23)/t12-,14+/m1/s1.
What are the key properties of (3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
(3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one has a molecular weight of 317.39 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 97191684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).