2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione

C18H26N4O4 — CID 3075246

IUPAC2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1cc2c(c(N3CCCCC3)n1)C(=O)N(CN(CCO)CCO)C2=O
InChIInChI=1S/C18H26N4O4/c1-13-11-14-15(16(19-13)21-5-3-2-4-6-21)18(26)22(17(14)25)12-20(7-9-23)8-10-24/h11,23-24H,2-10,12H2,1H3
InChIKeyJCTZWOFEQMDRQC-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.22
Rot. Bonds7

About 2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione

2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 3075246) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID3075246
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1cc2c(c(N3CCCCC3)n1)C(=O)N(CN(CCO)CCO)C2=O
InChIInChI=1S/C18H26N4O4/c1-13-11-14-15(16(19-13)21-5-3-2-4-6-21)18(26)22(17(14)25)12-20(7-9-23)8-10-24/h11,23-24H,2-10,12H2,1H3
InChIKeyJCTZWOFEQMDRQC-UHFFFAOYSA-N
XLogP0.22
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione (CID 3075246) is 2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione is Cc1cc2c(c(N3CCCCC3)n1)C(=O)N(CN(CCO)CCO)C2=O.
What is the InChIKey of 2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is JCTZWOFEQMDRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-13-11-14-15(16(19-13)21-5-3-2-4-6-21)18(26)22(17(14)25)12-20(7-9-23)8-10-24/h11,23-24H,2-10,12H2,1H3.
What are the key properties of 2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione?
2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 362.43 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 3075246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).