3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione

C16H21N3O2 — CID 115926987

IUPAC3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
SMILESO=C1CC(c2cncn2C2CC2)C(C2CCCC2)C(=O)N1
InChIInChI=1S/C16H21N3O2/c20-14-7-12(13-8-17-9-19(13)11-5-6-11)15(16(21)18-14)10-3-1-2-4-10/h8-12,15H,1-7H2,(H,18,20,21)
InChIKeyJKXXTBXZXPBXDN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.15
Rot. Bonds3

About 3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione

3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione (PubChem CID 115926987) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
PubChem CID115926987
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
SMILESO=C1CC(c2cncn2C2CC2)C(C2CCCC2)C(=O)N1
InChIInChI=1S/C16H21N3O2/c20-14-7-12(13-8-17-9-19(13)11-5-6-11)15(16(21)18-14)10-3-1-2-4-10/h8-12,15H,1-7H2,(H,18,20,21)
InChIKeyJKXXTBXZXPBXDN-UHFFFAOYSA-N
XLogP2.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
CID 66140663
3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 66141887
2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one
CID 82996219
4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one
CID 66140674
3-cyclopentylpyrrolidine-2,5-dione
CID 14918416
4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one
CID 79959420
3-cyclohexylpyrrolidine-2,5-dione
CID 12931268
4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione
CID 115926972
1-cyclopentyl-5-pyrrolidin-2-ylimidazole
CID 114703551
4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione
CID 102845446
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]thiane 1-oxide
CID 104943786
1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione?
The IUPAC name of 3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione (CID 115926987) is 3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione?
The canonical SMILES for 3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione is O=C1CC(c2cncn2C2CC2)C(C2CCCC2)C(=O)N1.
What is the InChIKey of 3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione?
The InChIKey is JKXXTBXZXPBXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-14-7-12(13-8-17-9-19(13)11-5-6-11)15(16(21)18-14)10-3-1-2-4-10/h8-12,15H,1-7H2,(H,18,20,21).
What are the key properties of 3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione?
3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 115926987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).