N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C24H23N3O6 — CID 108552140

IUPACN-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C24H23N3O6/c28-21(9-12-27-23(30)17-3-1-2-4-18(17)24(27)31)25-16-7-10-26(11-8-16)22(29)15-5-6-19-20(13-15)33-14-32-19/h1-6,13,16H,7-12,14H2,(H,25,28)
InChIKeyJZXGTPLLZXWQKO-UHFFFAOYSA-N
MW449.46 g/mol
LogP1.82
Rot. Bonds5

About N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 108552140) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID108552140
Molecular FormulaC24H23N3O6
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC NameN-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C24H23N3O6/c28-21(9-12-27-23(30)17-3-1-2-4-18(17)24(27)31)25-16-7-10-26(11-8-16)22(29)15-5-6-19-20(13-15)33-14-32-19/h1-6,13,16H,7-12,14H2,(H,25,28)
InChIKeyJZXGTPLLZXWQKO-UHFFFAOYSA-N
XLogP1.82
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108548290
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide
CID 108566835
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-ethylbutanamide
CID 110821563
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 110821561
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]butanamide
CID 108564718
N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557309
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 16822370
2-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083315
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557334
1,3-benzodioxol-5-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465868
prop-2-enyl 4-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]piperidine-1-carboxylate
CID 108562084

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 108552140) is N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is JZXGTPLLZXWQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6/c28-21(9-12-27-23(30)17-3-1-2-4-18(17)24(27)31)25-16-7-10-26(11-8-16)22(29)15-5-6-19-20(13-15)33-14-32-19/h1-6,13,16H,7-12,14H2,(H,25,28).
What are the key properties of N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 449.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 108552140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).