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

C19H16ClN3O3 — CID 113082608

IUPAC6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C(c1cccc(Cl)c1)N1CCC(N2C(=O)c3cccnc3C2=O)CC1
InChIInChI=1S/C19H16ClN3O3/c20-13-4-1-3-12(11-13)17(24)22-9-6-14(7-10-22)23-18(25)15-5-2-8-21-16(15)19(23)26/h1-5,8,11,14H,6-7,9-10H2
InChIKeyZCFKUZUHFPUBNU-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.64
Rot. Bonds2

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

6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 113082608) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID113082608
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C(c1cccc(Cl)c1)N1CCC(N2C(=O)c3cccnc3C2=O)CC1
InChIInChI=1S/C19H16ClN3O3/c20-13-4-1-3-12(11-13)17(24)22-9-6-14(7-10-22)23-18(25)15-5-2-8-21-16(15)19(23)26/h1-5,8,11,14H,6-7,9-10H2
InChIKeyZCFKUZUHFPUBNU-UHFFFAOYSA-N
XLogP2.64
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.64
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-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082668
6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082569
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;oxalic acid
CID 90483391
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide
CID 113082706
6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082603
6-(1-methylsulfonylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082631
3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159925
6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082660
2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one
CID 134797149
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 17369257

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 113082608) is 6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione is O=C(c1cccc(Cl)c1)N1CCC(N2C(=O)c3cccnc3C2=O)CC1.
What is the InChIKey of 6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is ZCFKUZUHFPUBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c20-13-4-1-3-12(11-13)17(24)22-9-6-14(7-10-22)23-18(25)15-5-2-8-21-16(15)19(23)26/h1-5,8,11,14H,6-7,9-10H2.
What are the key properties of 6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 369.81 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 113082608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).