1-methyl-3-piperidin-1-yliminoindol-2-one

C14H17N3O — CID 23987599

IUPAC1-methyl-3-piperidin-1-yliminoindol-2-one
SMILESCN1C(=O)C(=NN2CCCCC2)c2ccccc21
InChIInChI=1S/C14H17N3O/c1-16-12-8-4-3-7-11(12)13(14(16)18)15-17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyNQRACYYWQSXBCU-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.85
Rot. Bonds1

About 1-methyl-3-piperidin-1-yliminoindol-2-one

1-methyl-3-piperidin-1-yliminoindol-2-one (PubChem CID 23987599) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-methyl-3-piperidin-1-yliminoindol-2-one.

Molecular Properties

Compound Name1-methyl-3-piperidin-1-yliminoindol-2-one
PubChem CID23987599
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-methyl-3-piperidin-1-yliminoindol-2-one
SMILESCN1C(=O)C(=NN2CCCCC2)c2ccccc21
InChIInChI=1S/C14H17N3O/c1-16-12-8-4-3-7-11(12)13(14(16)18)15-17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyNQRACYYWQSXBCU-UHFFFAOYSA-N
XLogP1.85
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-Methyloxindole
CID 6096
N-Ethyloxindole
CID 66135
2-(Cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one
CID 118577937
Cyclohexyl(2,3-dihydroindol-1-yl)methanone
CID 701901
Spiro(indoline-3,4'-piperidin)-2-one, 1'-ethyl-
CID 3042076
1'-Methylspiro[benzimidazole-2,3'-indole]-2'-one
CID 659228
1-(1-Benzyl-piperidin-4-yl)-1,3-dihydro-indol-2-one
CID 3655995
SR-14150
CID 9905428
1,3,3-trimethyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one
CID 9994095
1-(1-Cyclooctylmethyl-piperidin-4-yl)-1,3-dihydro-indol-2-one
CID 10020165
1''-cyclooctylmethyl-1-methylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 11544654
1,3,3-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one
CID 13785415

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperidin-1-yliminoindol-2-one?
The IUPAC name of 1-methyl-3-piperidin-1-yliminoindol-2-one (CID 23987599) is 1-methyl-3-piperidin-1-yliminoindol-2-one.
What is the SMILES notation for 1-methyl-3-piperidin-1-yliminoindol-2-one?
The canonical SMILES for 1-methyl-3-piperidin-1-yliminoindol-2-one is CN1C(=O)C(=NN2CCCCC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-piperidin-1-yliminoindol-2-one?
The InChIKey is NQRACYYWQSXBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-12-8-4-3-7-11(12)13(14(16)18)15-17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of 1-methyl-3-piperidin-1-yliminoindol-2-one?
1-methyl-3-piperidin-1-yliminoindol-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperidin-1-yliminoindol-2-one is sourced from PubChem (CID 23987599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).