2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione

C15H17N3O3 — CID 95633290

IUPAC2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESC[C@H]1CCCCN1C(=O)CN1C(=O)c2ccncc2C1=O
InChIInChI=1S/C15H17N3O3/c1-10-4-2-3-7-17(10)13(19)9-18-14(20)11-5-6-16-8-12(11)15(18)21/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m0/s1
InChIKeyMQPQDZWXTKSVDC-JTQLQIEISA-N
MW287.32 g/mol
LogP1.08
Rot. Bonds2

About 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione

2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 95633290) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID95633290
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESC[C@H]1CCCCN1C(=O)CN1C(=O)c2ccncc2C1=O
InChIInChI=1S/C15H17N3O3/c1-10-4-2-3-7-17(10)13(19)9-18-14(20)11-5-6-16-8-12(11)15(18)21/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m0/s1
InChIKeyMQPQDZWXTKSVDC-JTQLQIEISA-N
XLogP1.08
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.08
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

2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 133351714
2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303544
2-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 18074489
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 682215
1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone
CID 176809674
1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
CID 646582
1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone
CID 95204864
(5R)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 2453229
2-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110871977
2-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119468460
5-methyl-2-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 51192239
2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7382226

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione (CID 95633290) is 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione is C[C@H]1CCCCN1C(=O)CN1C(=O)c2ccncc2C1=O.
What is the InChIKey of 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is MQPQDZWXTKSVDC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-4-2-3-7-17(10)13(19)9-18-14(20)11-5-6-16-8-12(11)15(18)21/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m0/s1.
What are the key properties of 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 287.32 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 95633290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).