2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione

C14H17N3O2 — CID 44564700

IUPAC2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1CCN1CCCCC1
InChIInChI=1S/C14H17N3O2/c18-13-11-4-5-15-10-12(11)14(19)17(13)9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2
InChIKeyRJWTZJNTPWBTCK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.16
Rot. Bonds3

About 2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione

2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 44564700) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID44564700
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1CCN1CCCCC1
InChIInChI=1S/C14H17N3O2/c18-13-11-4-5-15-10-12(11)14(19)17(13)9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2
InChIKeyRJWTZJNTPWBTCK-UHFFFAOYSA-N
XLogP1.16
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 44564700) is 2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione is O=C1c2ccncc2C(=O)N1CCN1CCCCC1.
What is the InChIKey of 2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is RJWTZJNTPWBTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-11-4-5-15-10-12(11)14(19)17(13)9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2.
What are the key properties of 2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 259.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 44564700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).