1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide

C18H28N4O4 — CID 127389894

IUPAC1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide
SMILESCCN(C(=O)C1CCCN(C(=O)NC2CCCC2)C1)C1CC(=O)NC1=O
InChIInChI=1S/C18H28N4O4/c1-2-22(14-10-15(23)20-16(14)24)17(25)12-6-5-9-21(11-12)18(26)19-13-7-3-4-8-13/h12-14H,2-11H2,1H3,(H,19,26)(H,20,23,24)
InChIKeyRMXMABQCNHELAB-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.61
Rot. Bonds4

About 1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide

1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide (PubChem CID 127389894) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide
PubChem CID127389894
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide
SMILESCCN(C(=O)C1CCCN(C(=O)NC2CCCC2)C1)C1CC(=O)NC1=O
InChIInChI=1S/C18H28N4O4/c1-2-22(14-10-15(23)20-16(14)24)17(25)12-6-5-9-21(11-12)18(26)19-13-7-3-4-8-13/h12-14H,2-11H2,1H3,(H,19,26)(H,20,23,24)
InChIKeyRMXMABQCNHELAB-UHFFFAOYSA-N
XLogP0.61
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-oxoprolinamide
CID 3240553
L-Prolinamide, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-norvalyl-, (S)-, hemihydrate
CID 3080380
For(1)-Dap(1)-Leu-Pro-NH2
CID 13312545
(4S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
CID 44307669
1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 71989763
2-Isobutyl-8-[(2-oxoimidazolidin-4-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72917943
2-Oxoimidazolidine-1-carboxylic acid-leucyl-beta-alaninamide
CID 126843298
N-(tert-butyl)-4-((2-(2,5-dioxopyrrolidin-1-yl)acetamido)methyl)piperidine-1-carboxamide
CID 49687973
2-(2-Methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one
CID 91633691
2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 134798361
3-[2-[(5S)-7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea
CID 97116583
(5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione
CID 164630414

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide (CID 127389894) is 1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide is CCN(C(=O)C1CCCN(C(=O)NC2CCCC2)C1)C1CC(=O)NC1=O.
What is the InChIKey of 1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide?
The InChIKey is RMXMABQCNHELAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-2-22(14-10-15(23)20-16(14)24)17(25)12-6-5-9-21(11-12)18(26)19-13-7-3-4-8-13/h12-14H,2-11H2,1H3,(H,19,26)(H,20,23,24).
What are the key properties of 1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide?
1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide has a molecular weight of 364.45 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 127389894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).