1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione

C12H18N2O2 — CID 60976367

IUPAC1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
SMILESCCCN1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C12H18N2O2/c1-2-7-13-8-5-10(6-9-13)14-11(15)3-4-12(14)16/h3-4,10H,2,5-9H2,1H3
InChIKeyLBQJMSNMUHVJQC-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.79
Rot. Bonds3

About 1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione

1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione (PubChem CID 60976367) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
PubChem CID60976367
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
SMILESCCCN1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C12H18N2O2/c1-2-7-13-8-5-10(6-9-13)14-11(15)3-4-12(14)16/h3-4,10H,2,5-9H2,1H3
InChIKeyLBQJMSNMUHVJQC-UHFFFAOYSA-N
XLogP0.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-propylazetidin-3-yl)pyrrole-2,5-dione
CID 131043117
3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
CID 60976530
1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one
CID 23033360
1-(1-propylpiperidin-4-yl)imidazolidin-2-one
CID 18340097
1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione
CID 157383581
2-propyl-3-(1-propylpiperidin-4-yl)imidazolidin-4-one
CID 83254078
4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one
CID 168500448
2-phenyl-3-(1-propylpiperidin-4-yl)imidazolidin-4-one
CID 83253513
2-ethyl-5-propan-2-yl-3-(1-propylpiperidin-4-yl)imidazolidin-4-one
CID 83252466
2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83253349
4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 91401399
1-(1-propylpyrrolidin-3-yl)imidazolidin-2-one
CID 131114947

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione (CID 60976367) is 1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione is CCCN1CCC(N2C(=O)C=CC2=O)CC1.
What is the InChIKey of 1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione?
The InChIKey is LBQJMSNMUHVJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-7-13-8-5-10(6-9-13)14-11(15)3-4-12(14)16/h3-4,10H,2,5-9H2,1H3.
What are the key properties of 1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione?
1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione has a molecular weight of 222.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione is sourced from PubChem (CID 60976367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).