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

C17H23N3O2 — CID 125163334

IUPAC(5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one
SMILESCc1cc2c(cn1)CN(C(=O)[C@H]1CCC(=O)N(C(C)C)C1)C2
InChIInChI=1S/C17H23N3O2/c1-11(2)20-10-13(4-5-16(20)21)17(22)19-8-14-6-12(3)18-7-15(14)9-19/h6-7,11,13H,4-5,8-10H2,1-3H3/t13-/m0/s1
InChIKeySWJWDUNDBXGUHM-ZDUSSCGKSA-N
MW301.39 g/mol
LogP1.88
Rot. Bonds2

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

(5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one (PubChem CID 125163334) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one
PubChem CID125163334
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one
SMILESCc1cc2c(cn1)CN(C(=O)[C@H]1CCC(=O)N(C(C)C)C1)C2
InChIInChI=1S/C17H23N3O2/c1-11(2)20-10-13(4-5-16(20)21)17(22)19-8-14-6-12(3)18-7-15(14)9-19/h6-7,11,13H,4-5,8-10H2,1-3H3/t13-/m0/s1
InChIKeySWJWDUNDBXGUHM-ZDUSSCGKSA-N
XLogP1.88
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone
CID 118784185
formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one
CID 155971936
[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
CID 154818121
1-(6-methyl-1,3-benzothiazol-2-yl)-4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyrrolidin-2-one
CID 155502697
2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
CID 155502159
4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 106671002
(3R)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-6-oxo-1-propan-2-ylpiperidine-3-carboxamide
CID 125169595
N-[(1R,2R,5S)-2-hydroxy-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 155916071
[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(6-oxo-1-propan-2-ylpiperidine-3-carbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]methylcarbamic acid
CID 90185305
(6S,7S,8aS)-6-ethyl-2-(2-methoxyacetyl)-7-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 154819362
[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(6-oxo-1-propan-2-ylpiperidine-3-carbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-methylcarbamic acid
CID 90185306
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 103900931

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one?
The IUPAC name of (5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one (CID 125163334) is (5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for (5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for (5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one is Cc1cc2c(cn1)CN(C(=O)[C@H]1CCC(=O)N(C(C)C)C1)C2.
What is the InChIKey of (5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one?
The InChIKey is SWJWDUNDBXGUHM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11(2)20-10-13(4-5-16(20)21)17(22)19-8-14-6-12(3)18-7-15(14)9-19/h6-7,11,13H,4-5,8-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one?
(5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 125163334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).