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

C20H21N3O2 — CID 156811104

IUPAC[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc2c(ccn2-c2ccc(CO)cc2)c1)N1CCCCC1
InChIInChI=1S/C20H21N3O2/c24-14-15-4-6-18(7-5-15)23-11-8-16-12-17(13-21-19(16)23)20(25)22-9-2-1-3-10-22/h4-8,11-13,24H,1-3,9-10,14H2
InChIKeyBGYFFRGJXXUUEW-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.14
Rot. Bonds3

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

[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (PubChem CID 156811104) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is [1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
PubChem CID156811104
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc2c(ccn2-c2ccc(CO)cc2)c1)N1CCCCC1
InChIInChI=1S/C20H21N3O2/c24-14-15-4-6-18(7-5-15)23-11-8-16-12-17(13-21-19(16)23)20(25)22-9-2-1-3-10-22/h4-8,11-13,24H,1-3,9-10,14H2
InChIKeyBGYFFRGJXXUUEW-UHFFFAOYSA-N
XLogP3.14
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (CID 156811104) is [1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is O=C(c1cnc2c(ccn2-c2ccc(CO)cc2)c1)N1CCCCC1.
What is the InChIKey of [1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is BGYFFRGJXXUUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-14-15-4-6-18(7-5-15)23-11-8-16-12-17(13-21-19(16)23)20(25)22-9-2-1-3-10-22/h4-8,11-13,24H,1-3,9-10,14H2.
What are the key properties of [1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 335.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 156811104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).