3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione

C18H27N3O4 — CID 123452489

IUPAC3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
SMILESCCCc1c(CC2(N)CCCC2)c(O)n(C2CCC(=O)NC2=O)c1O
InChIInChI=1S/C18H27N3O4/c1-2-5-11-12(10-18(19)8-3-4-9-18)17(25)21(16(11)24)13-6-7-14(22)20-15(13)23/h13,24-25H,2-10,19H2,1H3,(H,20,22,23)
InChIKeyLDFIOGILJJXOEZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.64
Rot. Bonds5

About 3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione

3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione (PubChem CID 123452489) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
PubChem CID123452489
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
SMILESCCCc1c(CC2(N)CCCC2)c(O)n(C2CCC(=O)NC2=O)c1O
InChIInChI=1S/C18H27N3O4/c1-2-5-11-12(10-18(19)8-3-4-9-18)17(25)21(16(11)24)13-6-7-14(22)20-15(13)23/h13,24-25H,2-10,19H2,1H3,(H,20,22,23)
InChIKeyLDFIOGILJJXOEZ-UHFFFAOYSA-N
XLogP1.64
TPSA117.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-Dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione
CID 90875092
3-[3-[(1-Aminocycloheptyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
CID 123138296
3-[3-[(1-Aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
CID 123584046
3-(4-Amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione
CID 123645575
3-[3-(3-Ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
CID 123978092
3-(6,8-Dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione
CID 166923720

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione (CID 123452489) is 3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione is CCCc1c(CC2(N)CCCC2)c(O)n(C2CCC(=O)NC2=O)c1O.
What is the InChIKey of 3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is LDFIOGILJJXOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-2-5-11-12(10-18(19)8-3-4-9-18)17(25)21(16(11)24)13-6-7-14(22)20-15(13)23/h13,24-25H,2-10,19H2,1H3,(H,20,22,23).
What are the key properties of 3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione?
3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 349.43 g/mol, XLogP of 1.64, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 123452489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).