N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide

C20H24N4O6 — CID 9319927

IUPACN-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide
SMILESCCCN1C(=O)C(=O)N(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O
InChIInChI=1S/C20H24N4O6/c1-2-7-23-18(26)19(27)24(20(23)28)11-22-8-5-13(6-9-22)17(25)21-14-3-4-15-16(10-14)30-12-29-15/h3-4,10,13H,2,5-9,11-12H2,1H3,(H,21,25)
InChIKeyANXKSPRNNDKEPI-UHFFFAOYSA-N
MW416.43 g/mol
LogP1.22
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide (PubChem CID 9319927) has the molecular formula C20H24N4O6 and a molecular weight of 416.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide
PubChem CID9319927
Molecular FormulaC20H24N4O6
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide
SMILESCCCN1C(=O)C(=O)N(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O
InChIInChI=1S/C20H24N4O6/c1-2-7-23-18(26)19(27)24(20(23)28)11-22-8-5-13(6-9-22)17(25)21-14-3-4-15-16(10-14)30-12-29-15/h3-4,10,13H,2,5-9,11-12H2,1H3,(H,21,25)
InChIKeyANXKSPRNNDKEPI-UHFFFAOYSA-N
XLogP1.22
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide
CID 31383050
N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide
CID 31383243
N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide
CID 31383195
N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995686
N-(1,3-benzodioxol-5-yl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921459
4-N-(1,3-benzodioxol-5-yl)-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 166188583
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidin-1-ium-4-carboxamide
CID 8995583
N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17414500
N-(1,3-benzodioxol-5-yl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921462
N-(1,3-benzodioxol-5-yl)-1-[1-(3,5-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 167799507
N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide
CID 8995762

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide (CID 9319927) is N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide is CCCN1C(=O)C(=O)N(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ANXKSPRNNDKEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6/c1-2-7-23-18(26)19(27)24(20(23)28)11-22-8-5-13(6-9-22)17(25)21-14-3-4-15-16(10-14)30-12-29-15/h3-4,10,13H,2,5-9,11-12H2,1H3,(H,21,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 9319927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).