2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione

C16H21N3O2 — CID 63255268

IUPAC2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
SMILESCC(N)C1CCCCN1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H21N3O2/c1-11(17)14-8-4-5-9-18(14)10-19-15(20)12-6-2-3-7-13(12)16(19)21/h2-3,6-7,11,14H,4-5,8-10,17H2,1H3
InChIKeyLFKDGWSOCUCOTE-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.44
Rot. Bonds3

About 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione

2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione (PubChem CID 63255268) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
PubChem CID63255268
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
SMILESCC(N)C1CCCCN1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H21N3O2/c1-11(17)14-8-4-5-9-18(14)10-19-15(20)12-6-2-3-7-13(12)16(19)21/h2-3,6-7,11,14H,4-5,8-10,17H2,1H3
InChIKeyLFKDGWSOCUCOTE-UHFFFAOYSA-N
XLogP1.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(1-aminoethyl)piperidine-1-carbonyl]-2-benzylisoindole-1,3-dione
CID 119434913
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 66261613
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63255722
2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide
CID 63255807
2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 19133035
3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119911160
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
1-[1-[(1-methylcyclopropyl)methyl]piperidin-2-yl]ethanamine
CID 130831353
2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide
CID 63254876
2-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]isoindole-1,3-dione
CID 11930918
2-[(3-aminopiperidin-1-yl)methyl]isoindole-1,3-dione
CID 55032217

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione (CID 63255268) is 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione is CC(N)C1CCCCN1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione?
The InChIKey is LFKDGWSOCUCOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(17)14-8-4-5-9-18(14)10-19-15(20)12-6-2-3-7-13(12)16(19)21/h2-3,6-7,11,14H,4-5,8-10,17H2,1H3.
What are the key properties of 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione?
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 287.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 63255268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).