N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide

C26H29N3O5 — CID 55688991

IUPACN-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)c4ccccc4C)CC3)cc2C1=O
InChIInChI=1S/C26H29N3O5/c1-17-6-3-4-7-20(17)23(30)27-19-10-13-28(14-11-19)24(31)18-8-9-21-22(16-18)26(33)29(25(21)32)12-5-15-34-2/h3-4,6-9,16,19H,5,10-15H2,1-2H3,(H,27,30)
InChIKeyNDHLHEPLPWFLDO-UHFFFAOYSA-N
MW463.53 g/mol
LogP2.66
Rot. Bonds7

About N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 55688991) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID55688991
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)c4ccccc4C)CC3)cc2C1=O
InChIInChI=1S/C26H29N3O5/c1-17-6-3-4-7-20(17)23(30)27-19-10-13-28(14-11-19)24(31)18-8-9-21-22(16-18)26(33)29(25(21)32)12-5-15-34-2/h3-4,6-9,16,19H,5,10-15H2,1-2H3,(H,27,30)
InChIKeyNDHLHEPLPWFLDO-UHFFFAOYSA-N
XLogP2.66
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 52.66
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

2-chloro-N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]propanamide
CID 108564596
2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide
CID 108557655
N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide
CID 108550040
ethyl [4-[4-[[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930323
N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 55674176
2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide
CID 108551812
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione
CID 119563122
5-[4-(2,2-dichloroacetyl)piperazine-1-carbonyl]-2-(3-methoxypropyl)isoindole-1,3-dione
CID 108568345
2-(3-methoxypropyl)-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 108535074
5-[4-(2-chloropropanoyl)piperazine-1-carbonyl]-2-(3-methoxypropyl)isoindole-1,3-dione
CID 108568354
2-(3-methoxypropyl)-5-[4-(pyridine-4-carbonyl)-1,4-diazepane-1-carbonyl]isoindole-1,3-dione
CID 108545927

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide (CID 55688991) is N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide is COCCCN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)c4ccccc4C)CC3)cc2C1=O.
What is the InChIKey of N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is NDHLHEPLPWFLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-17-6-3-4-7-20(17)23(30)27-19-10-13-28(14-11-19)24(31)18-8-9-21-22(16-18)26(33)29(25(21)32)12-5-15-34-2/h3-4,6-9,16,19H,5,10-15H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 463.53 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 55688991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).