6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one

C14H17N3O2 — CID 102711587

IUPAC6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
SMILESCC1CN(C(=O)c2ccc3c(c2)NC(=O)C3)CCN1
InChIInChI=1S/C14H17N3O2/c1-9-8-17(5-4-15-9)14(19)11-3-2-10-7-13(18)16-12(10)6-11/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyOZVNPNCEDCJJFB-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.62
Rot. Bonds1

About 6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one

6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 102711587) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
PubChem CID102711587
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
SMILESCC1CN(C(=O)c2ccc3c(c2)NC(=O)C3)CCN1
InChIInChI=1S/C14H17N3O2/c1-9-8-17(5-4-15-9)14(19)11-3-2-10-7-13(18)16-12(10)6-11/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyOZVNPNCEDCJJFB-UHFFFAOYSA-N
XLogP0.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577687
6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 102712777
6-(2,6-dimethylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 102712422
6-(4-amino-3-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711641
4-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2,6-dione
CID 102712523
N-[1-(2-oxo-1,3-dihydroindole-6-carbonyl)pyrrolidin-3-yl]acetamide
CID 102712694
1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579585
6-(4-ethyl-4-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102712356
6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711454
7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 13369863
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103725306

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one (CID 102711587) is 6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one is CC1CN(C(=O)c2ccc3c(c2)NC(=O)C3)CCN1.
What is the InChIKey of 6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is OZVNPNCEDCJJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-8-17(5-4-15-9)14(19)11-3-2-10-7-13(18)16-12(10)6-11/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,18).
What are the key properties of 6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one?
6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 102711587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).