2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione

C15H19N3O2 — CID 106632832

IUPAC2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NCC3CCCCN3)cc2C1=O
InChIInChI=1S/C15H19N3O2/c1-18-14(19)12-6-5-10(8-13(12)15(18)20)17-9-11-4-2-3-7-16-11/h5-6,8,11,16-17H,2-4,7,9H2,1H3
InChIKeyMRKDRXFLVGFXHQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.47
Rot. Bonds3

About 2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione

2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione (PubChem CID 106632832) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione
PubChem CID106632832
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NCC3CCCCN3)cc2C1=O
InChIInChI=1S/C15H19N3O2/c1-18-14(19)12-6-5-10(8-13(12)15(18)20)17-9-11-4-2-3-7-16-11/h5-6,8,11,16-17H,2-4,7,9H2,1H3
InChIKeyMRKDRXFLVGFXHQ-UHFFFAOYSA-N
XLogP1.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione
CID 79699723
5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione
CID 62064873
N-(piperidin-2-ylmethyl)-1H-indazol-5-amine
CID 106633290
N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide
CID 106633520
methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate
CID 106633173
4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
CID 115054169
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid
CID 28897269
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline
CID 115041678
5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione
CID 79168487
4-chloro-3-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106633380
N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide
CID 106633277
4-cyclopentyloxy-N-(piperidin-2-ylmethyl)aniline
CID 106633330

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione (CID 106632832) is 2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione is CN1C(=O)c2ccc(NCC3CCCCN3)cc2C1=O.
What is the InChIKey of 2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione?
The InChIKey is MRKDRXFLVGFXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-14(19)12-6-5-10(8-13(12)15(18)20)17-9-11-4-2-3-7-16-11/h5-6,8,11,16-17H,2-4,7,9H2,1H3.
What are the key properties of 2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione?
2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione has a molecular weight of 273.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione is sourced from PubChem (CID 106632832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).