6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one

C14H18N4O3 — CID 65462407

IUPAC6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one
SMILESCC1(C)CNCCN1c1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C14H18N4O3/c1-14(2)8-15-3-4-17(14)11-7-10-9(6-13(19)16-10)5-12(11)18(20)21/h5,7,15H,3-4,6,8H2,1-2H3,(H,16,19)
InChIKeyMBWDXMKQJUJHFO-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.28
Rot. Bonds2

About 6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one

6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one (PubChem CID 65462407) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one
PubChem CID65462407
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one
SMILESCC1(C)CNCCN1c1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C14H18N4O3/c1-14(2)8-15-3-4-17(14)11-7-10-9(6-13(19)16-10)5-12(11)18(20)21/h5,7,15H,3-4,6,8H2,1-2H3,(H,16,19)
InChIKeyMBWDXMKQJUJHFO-UHFFFAOYSA-N
XLogP1.28
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-4-iodo-2-nitrophenyl)-2,2-dimethylpiperazine
CID 66101263
1-(4-fluoro-2-nitrophenyl)-2,2-dimethylpiperazine
CID 65460801
2,2-dimethyl-1-(4-methylsulfonyl-2-nitrophenyl)piperazine
CID 65462205
6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
CID 102986412
6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
CID 63267531
6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 61366777
2,2-dimethyl-1-(4-nitrophenyl)piperazine
CID 65463015
1-(3-methoxy-4-nitrophenyl)-2,2-dimethylpiperazine
CID 65462208
5-chloro-6-nitro-1,3-dihydroindol-2-one
CID 141362608
5-nitro-6-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 154202750
6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one
CID 69464158
2,2-dimethyl-1-(3-methyl-5-nitrophenyl)piperazine
CID 112649510

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one (CID 65462407) is 6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one is CC1(C)CNCCN1c1cc2c(cc1[N+](=O)[O-])CC(=O)N2.
What is the InChIKey of 6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is MBWDXMKQJUJHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-14(2)8-15-3-4-17(14)11-7-10-9(6-13(19)16-10)5-12(11)18(20)21/h5,7,15H,3-4,6,8H2,1-2H3,(H,16,19).
What are the key properties of 6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one?
6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 290.32 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 65462407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).