6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one

C14H18N4O3 — CID 43451844

IUPAC6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one
SMILESCN1CCC(Nc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)CC1
InChIInChI=1S/C14H18N4O3/c1-17-4-2-10(3-5-17)15-12-8-11-9(7-14(19)16-11)6-13(12)18(20)21/h6,8,10,15H,2-5,7H2,1H3,(H,16,19)
InChIKeyZRWKJALQRYDEJD-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.60
Rot. Bonds3

About 6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one

6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one (PubChem CID 43451844) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one
PubChem CID43451844
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one
SMILESCN1CCC(Nc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)CC1
InChIInChI=1S/C14H18N4O3/c1-17-4-2-10(3-5-17)15-12-8-11-9(7-14(19)16-11)6-13(12)18(20)21/h6,8,10,15H,2-5,7H2,1H3,(H,16,19)
InChIKeyZRWKJALQRYDEJD-UHFFFAOYSA-N
XLogP1.60
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.60
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

6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43427396
6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one
CID 43451829
5-nitro-6-(pyrrolidin-3-ylamino)-1,3-dihydroindol-2-one
CID 62380988
6-[(3-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43451837
6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 115303793
7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 114547751
6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 61366777
5-nitro-6-(prop-2-ynylamino)-1,3-dihydroindol-2-one
CID 62141089
6-(cyclohexylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43427172
6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
CID 107419063
6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one
CID 69464158
N-(4,5-dimethyl-2-nitrophenyl)-1-methylpyrrolidin-3-amine
CID 55142177

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one (CID 43451844) is 6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one is CN1CCC(Nc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)CC1.
What is the InChIKey of 6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is ZRWKJALQRYDEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-17-4-2-10(3-5-17)15-12-8-11-9(7-14(19)16-11)6-13(12)18(20)21/h6,8,10,15H,2-5,7H2,1H3,(H,16,19).
What are the key properties of 6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one?
6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 290.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).