[1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

C21H23N3O2 — CID 156810931

IUPAC[1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCCOc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1
InChIInChI=1S/C21H23N3O2/c1-2-26-19-8-6-18(7-9-19)24-13-10-16-14-17(15-22-20(16)24)21(25)23-11-4-3-5-12-23/h6-10,13-15H,2-5,11-12H2,1H3
InChIKeyAWKDIKXULSTEBD-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.05
Rot. Bonds4

About [1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

[1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (PubChem CID 156810931) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
PubChem CID156810931
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCCOc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1
InChIInChI=1S/C21H23N3O2/c1-2-26-19-8-6-18(7-9-19)24-13-10-16-14-17(15-22-20(16)24)21(25)23-11-4-3-5-12-23/h6-10,13-15H,2-5,11-12H2,1H3
InChIKeyAWKDIKXULSTEBD-UHFFFAOYSA-N
XLogP4.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (CID 156810931) is [1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is CCOc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is AWKDIKXULSTEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-26-19-8-6-18(7-9-19)24-13-10-16-14-17(15-22-20(16)24)21(25)23-11-4-3-5-12-23/h6-10,13-15H,2-5,11-12H2,1H3.
What are the key properties of [1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
[1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 349.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 156810931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).