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

C20H21N3O2 — CID 156811115

IUPAC[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCOc1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C20H21N3O2/c1-25-18-7-5-6-17(13-18)23-11-8-15-12-16(14-21-19(15)23)20(24)22-9-3-2-4-10-22/h5-8,11-14H,2-4,9-10H2,1H3
InChIKeyVPHIESWYDRPSSP-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.66
Rot. Bonds3

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

[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (PubChem CID 156811115) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
PubChem CID156811115
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCOc1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C20H21N3O2/c1-25-18-7-5-6-17(13-18)23-11-8-15-12-16(14-21-19(15)23)20(24)22-9-3-2-4-10-22/h5-8,11-14H,2-4,9-10H2,1H3
InChIKeyVPHIESWYDRPSSP-UHFFFAOYSA-N
XLogP3.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (CID 156811115) is [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is COc1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.
What is the InChIKey of [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is VPHIESWYDRPSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-18-7-5-6-17(13-18)23-11-8-15-12-16(14-21-19(15)23)20(24)22-9-3-2-4-10-22/h5-8,11-14H,2-4,9-10H2,1H3.
What are the key properties of [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 335.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 156811115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).