(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone

C20H30N4O — CID 118784185

IUPAC(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone
SMILESCc1cc2c(cn1)CN(C(=O)C1CCCN(C3CCN(C)CC3)C1)C2
InChIInChI=1S/C20H30N4O/c1-15-10-17-13-24(14-18(17)11-21-15)20(25)16-4-3-7-23(12-16)19-5-8-22(2)9-6-19/h10-11,16,19H,3-9,12-14H2,1-2H3
InChIKeyZDZMSQLOSDZJNG-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.04
Rot. Bonds2

About (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone

(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone (PubChem CID 118784185) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone
PubChem CID118784185
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone
SMILESCc1cc2c(cn1)CN(C(=O)C1CCCN(C3CCN(C)CC3)C1)C2
InChIInChI=1S/C20H30N4O/c1-15-10-17-13-24(14-18(17)11-21-15)20(25)16-4-3-7-23(12-16)19-5-8-22(2)9-6-19/h10-11,16,19H,3-9,12-14H2,1-2H3
InChIKeyZDZMSQLOSDZJNG-UHFFFAOYSA-N
XLogP2.04
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56863070
[(3S)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95554392
(5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one
CID 125163334
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
[(3R)-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 95554331
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56880421
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentanecarboxamide
CID 45181380
(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28882866
2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95557941
2-hydroxy-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95229160
(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 95527743

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone (CID 118784185) is (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone is Cc1cc2c(cn1)CN(C(=O)C1CCCN(C3CCN(C)CC3)C1)C2.
What is the InChIKey of (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone?
The InChIKey is ZDZMSQLOSDZJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15-10-17-13-24(14-18(17)11-21-15)20(25)16-4-3-7-23(12-16)19-5-8-22(2)9-6-19/h10-11,16,19H,3-9,12-14H2,1-2H3.
What are the key properties of (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone?
(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone has a molecular weight of 342.49 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 118784185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).