(2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone

C21H23N3O3 — CID 110236393

IUPAC(2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)c1OC
InChIInChI=1S/C21H23N3O3/c1-26-19-9-3-7-15(20(19)27-2)21(25)24-11-5-6-14(13-24)17-12-18-16(23-17)8-4-10-22-18/h3-4,7-10,12,14,23H,5-6,11,13H2,1-2H3
InChIKeyQOZIRTDUFKESHW-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.60
Rot. Bonds4

About (2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone

(2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 110236393) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID110236393
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)c1OC
InChIInChI=1S/C21H23N3O3/c1-26-19-9-3-7-15(20(19)27-2)21(25)24-11-5-6-14(13-24)17-12-18-16(23-17)8-4-10-22-18/h3-4,7-10,12,14,23H,5-6,11,13H2,1-2H3
InChIKeyQOZIRTDUFKESHW-UHFFFAOYSA-N
XLogP3.60
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-1-methylindol-2-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110236417
2-(2-methoxyphenyl)-1-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 110236396
2-(3-fluoro-4-methoxyphenyl)-1-[(3S)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 92597487
(2,3-dimethoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926795
[5-(methoxymethyl)furan-2-yl]-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 95850835
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 155533168
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824
(2,3-dimethoxyphenyl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 110236539
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 71934250
N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 110236459
[3-(bromomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 80661384
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone (CID 110236393) is (2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is QOZIRTDUFKESHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-19-9-3-7-15(20(19)27-2)21(25)24-11-5-6-14(13-24)17-12-18-16(23-17)8-4-10-22-18/h3-4,7-10,12,14,23H,5-6,11,13H2,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
(2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 365.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110236393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).