6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione

C21H21N3O3 — CID 113082603

IUPAC6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C(CCc1ccccc1)N1CCC(N2C(=O)c3cccnc3C2=O)CC1
InChIInChI=1S/C21H21N3O3/c25-18(9-8-15-5-2-1-3-6-15)23-13-10-16(11-14-23)24-20(26)17-7-4-12-22-19(17)21(24)27/h1-7,12,16H,8-11,13-14H2
InChIKeyAWYOLMDLMDHVQO-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.30
Rot. Bonds4

About 6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione

6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 113082603) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID113082603
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C(CCc1ccccc1)N1CCC(N2C(=O)c3cccnc3C2=O)CC1
InChIInChI=1S/C21H21N3O3/c25-18(9-8-15-5-2-1-3-6-15)23-13-10-16(11-14-23)24-20(26)17-7-4-12-22-19(17)21(24)27/h1-7,12,16H,8-11,13-14H2
InChIKeyAWYOLMDLMDHVQO-UHFFFAOYSA-N
XLogP2.30
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082685
6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082569
6-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082613
6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082660
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
6-(1-methylsulfonylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082631
6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082608
4-cyclopropyl-2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540706
6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082668
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione
CID 113082521

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 113082603) is 6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione is O=C(CCc1ccccc1)N1CCC(N2C(=O)c3cccnc3C2=O)CC1.
What is the InChIKey of 6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is AWYOLMDLMDHVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-18(9-8-15-5-2-1-3-6-15)23-13-10-16(11-14-23)24-20(26)17-7-4-12-22-19(17)21(24)27/h1-7,12,16H,8-11,13-14H2.
What are the key properties of 6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 363.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 113082603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).