2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione

C19H25N3O3 — CID 119594509

IUPAC2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)N1CCCC(C(C)N)C1)C2=O
InChIInChI=1S/C19H25N3O3/c1-11-6-7-15-16(9-11)19(25)22(18(15)24)13(3)17(23)21-8-4-5-14(10-21)12(2)20/h6-7,9,12-14H,4-5,8,10,20H2,1-3H3
InChIKeyWOAWDRSKRFVPDB-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.57
Rot. Bonds3

About 2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione

2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione (PubChem CID 119594509) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione
PubChem CID119594509
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)N1CCCC(C(C)N)C1)C2=O
InChIInChI=1S/C19H25N3O3/c1-11-6-7-15-16(9-11)19(25)22(18(15)24)13(3)17(23)21-8-4-5-14(10-21)12(2)20/h6-7,9,12-14H,4-5,8,10,20H2,1-3H3
InChIKeyWOAWDRSKRFVPDB-UHFFFAOYSA-N
XLogP1.57
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 119593987
1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349799
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46630082
(2S)-1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 122065095
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 55375313
2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-bromoisoindole-1,3-dione
CID 119595018
[3-(1-aminoethyl)piperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 81112375
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 119593580
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethylphenyl)ethanone;hydrochloride
CID 86777585
N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119590379
5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-butylisoindole-1,3-dione
CID 119595940
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119592865

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione?
The IUPAC name of 2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione (CID 119594509) is 2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(C(C)C(=O)N1CCCC(C(C)N)C1)C2=O.
What is the InChIKey of 2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione?
The InChIKey is WOAWDRSKRFVPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-11-6-7-15-16(9-11)19(25)22(18(15)24)13(3)17(23)21-8-4-5-14(10-21)12(2)20/h6-7,9,12-14H,4-5,8,10,20H2,1-3H3.
What are the key properties of 2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione?
2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione has a molecular weight of 343.43 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione is sourced from PubChem (CID 119594509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).