2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione

C19H25N3O3 — CID 119563122

IUPAC2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione
SMILESCCCCN1C(=O)c2ccc(C(=O)N3CCC(NC)CC3)cc2C1=O
InChIInChI=1S/C19H25N3O3/c1-3-4-9-22-18(24)15-6-5-13(12-16(15)19(22)25)17(23)21-10-7-14(20-2)8-11-21/h5-6,12,14,20H,3-4,7-11H2,1-2H3
InChIKeyFVKWBNCTOYUSPL-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.91
Rot. Bonds5

About 2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione

2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione (PubChem CID 119563122) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione
PubChem CID119563122
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione
SMILESCCCCN1C(=O)c2ccc(C(=O)N3CCC(NC)CC3)cc2C1=O
InChIInChI=1S/C19H25N3O3/c1-3-4-9-22-18(24)15-6-5-13(12-16(15)19(22)25)17(23)21-10-7-14(20-2)8-11-21/h5-6,12,14,20H,3-4,7-11H2,1-2H3
InChIKeyFVKWBNCTOYUSPL-UHFFFAOYSA-N
XLogP1.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.91
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

2-butyl-5-[4-(ethylaminomethyl)piperidine-1-carbonyl]isoindole-1,3-dione;hydrochloride
CID 119647488
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione
CID 119412569
2-butyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 112799563
2-butyl-5-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 55556726
N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 55674176
5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-butylisoindole-1,3-dione
CID 119595940
1-(2-butyl-1,3-dioxoisoindole-5-carbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55986516
2-butyl-5-[4-(3-methylbutyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 55848519
2-chloro-N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]propanamide
CID 108564596
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
2-butyl-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione
CID 75392247
2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide
CID 78767376

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione (CID 119563122) is 2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione is CCCCN1C(=O)c2ccc(C(=O)N3CCC(NC)CC3)cc2C1=O.
What is the InChIKey of 2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione?
The InChIKey is FVKWBNCTOYUSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-4-9-22-18(24)15-6-5-13(12-16(15)19(22)25)17(23)21-10-7-14(20-2)8-11-21/h5-6,12,14,20H,3-4,7-11H2,1-2H3.
What are the key properties of 2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione?
2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione has a molecular weight of 343.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 119563122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).