2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide

C23H31N3O5 — CID 108551812

IUPAC2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide
SMILESCCCCC(=O)N1CCC(NC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)CC1
InChIInChI=1S/C23H31N3O5/c1-3-4-6-20(27)25-12-9-17(10-13-25)24-21(28)16-7-8-18-19(15-16)23(30)26(22(18)29)11-5-14-31-2/h7-8,15,17H,3-6,9-14H2,1-2H3,(H,24,28)
InChIKeyVJQYRISKVOCKBJ-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.23
Rot. Bonds9

About 2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide

2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide (PubChem CID 108551812) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide
PubChem CID108551812
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Name2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide
SMILESCCCCC(=O)N1CCC(NC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)CC1
InChIInChI=1S/C23H31N3O5/c1-3-4-6-20(27)25-12-9-17(10-13-25)24-21(28)16-7-8-18-19(15-16)23(30)26(22(18)29)11-5-14-31-2/h7-8,15,17H,3-6,9-14H2,1-2H3,(H,24,28)
InChIKeyVJQYRISKVOCKBJ-UHFFFAOYSA-N
XLogP2.23
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl [4-[4-[[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930323
2-chloro-N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]propanamide
CID 108564596
2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide
CID 78767376
N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 55674176
N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 55688991
5-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]-2-(3-methoxypropyl)isoindole-1,3-dione
CID 108535080
N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide
CID 108550040
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide
CID 108550367
2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione
CID 119563122
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119458632
2-(3-methoxypropyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108537943

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide?
The IUPAC name of 2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide (CID 108551812) is 2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide.
What is the SMILES notation for 2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide?
The canonical SMILES for 2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide is CCCCC(=O)N1CCC(NC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)CC1.
What is the InChIKey of 2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide?
The InChIKey is VJQYRISKVOCKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-3-4-6-20(27)25-12-9-17(10-13-25)24-21(28)16-7-8-18-19(15-16)23(30)26(22(18)29)11-5-14-31-2/h7-8,15,17H,3-6,9-14H2,1-2H3,(H,24,28).
What are the key properties of 2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide?
2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide is sourced from PubChem (CID 108551812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).