1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one

C23H27N3O3 — CID 155351702

IUPAC1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one
SMILESCc1ccccc1OC1CCN(C(=O)c2cn(C)c3c(C)cn(C)c(=O)c23)CC1
InChIInChI=1S/C23H27N3O3/c1-15-7-5-6-8-19(15)29-17-9-11-26(12-10-17)22(27)18-14-24(3)21-16(2)13-25(4)23(28)20(18)21/h5-8,13-14,17H,9-12H2,1-4H3
InChIKeyZBCGRSBFWBOVQV-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.18
Rot. Bonds3

About 1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one

1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one (PubChem CID 155351702) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one
PubChem CID155351702
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one
SMILESCc1ccccc1OC1CCN(C(=O)c2cn(C)c3c(C)cn(C)c(=O)c23)CC1
InChIInChI=1S/C23H27N3O3/c1-15-7-5-6-8-19(15)29-17-9-11-26(12-10-17)22(27)18-14-24(3)21-16(2)13-25(4)23(28)20(18)21/h5-8,13-14,17H,9-12H2,1-4H3
InChIKeyZBCGRSBFWBOVQV-UHFFFAOYSA-N
XLogP3.18
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
CID 155351898
[2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone
CID 70772217
1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one
CID 155351753
3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 70743583
3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
CID 155351853
1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one
CID 155351745
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70717882
3-[7,7-difluoro-6-(4-methoxyphenyl)-3-azabicyclo[4.1.0]heptane-3-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
CID 155351981
1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 70744445
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70778695
2-(4-methyl-1,4-diazepan-1-yl)-1-[4-(2-methylphenoxy)piperidin-1-yl]ethanone
CID 90650172
[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70771871

Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one (CID 155351702) is 1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one is Cc1ccccc1OC1CCN(C(=O)c2cn(C)c3c(C)cn(C)c(=O)c23)CC1.
What is the InChIKey of 1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ZBCGRSBFWBOVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-7-5-6-8-19(15)29-17-9-11-26(12-10-17)22(27)18-14-24(3)21-16(2)13-25(4)23(28)20(18)21/h5-8,13-14,17H,9-12H2,1-4H3.
What are the key properties of 1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one?
1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 393.49 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 155351702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).