(5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one

C17H23N3O3 — CID 125177975

IUPAC(5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one
SMILESCOCCN1C[C@@H](C(=O)N2Cc3cnc(C)cc3C2)CCC1=O
InChIInChI=1S/C17H23N3O3/c1-12-7-14-10-20(11-15(14)8-18-12)17(22)13-3-4-16(21)19(9-13)5-6-23-2/h7-8,13H,3-6,9-11H2,1-2H3/t13-/m0/s1
InChIKeySJQMCVLRJCYUJD-ZDUSSCGKSA-N
MW317.39 g/mol
LogP1.12
Rot. Bonds4

About (5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one

(5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one (PubChem CID 125177975) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one
PubChem CID125177975
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one
SMILESCOCCN1C[C@@H](C(=O)N2Cc3cnc(C)cc3C2)CCC1=O
InChIInChI=1S/C17H23N3O3/c1-12-7-14-10-20(11-15(14)8-18-12)17(22)13-3-4-16(21)19(9-13)5-6-23-2/h7-8,13H,3-6,9-11H2,1-2H3/t13-/m0/s1
InChIKeySJQMCVLRJCYUJD-ZDUSSCGKSA-N
XLogP1.12
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one?
The IUPAC name of (5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one (CID 125177975) is (5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one.
What is the SMILES notation for (5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one?
The canonical SMILES for (5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one is COCCN1C[C@@H](C(=O)N2Cc3cnc(C)cc3C2)CCC1=O.
What is the InChIKey of (5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one?
The InChIKey is SJQMCVLRJCYUJD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-7-14-10-20(11-15(14)8-18-12)17(22)13-3-4-16(21)19(9-13)5-6-23-2/h7-8,13H,3-6,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one?
(5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one is sourced from PubChem (CID 125177975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).