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

C15H19N3O2 — CID 155307741

IUPAC(5-methoxy-1-methylpyrrolo[2,3-b]pyridin-4-yl)-piperidin-4-ylmethanone
SMILESCOc1cnc2c(ccn2C)c1C(=O)C1CCNCC1
InChIInChI=1S/C15H19N3O2/c1-18-8-5-11-13(12(20-2)9-17-15(11)18)14(19)10-3-6-16-7-4-10/h5,8-10,16H,3-4,6-7H2,1-2H3
InChIKeyBTGRZXHCTQIHPE-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.76
Rot. Bonds3

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

(5-methoxy-1-methylpyrrolo[2,3-b]pyridin-4-yl)-piperidin-4-ylmethanone (PubChem CID 155307741) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (5-methoxy-1-methylpyrrolo[2,3-b]pyridin-4-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(5-methoxy-1-methylpyrrolo[2,3-b]pyridin-4-yl)-piperidin-4-ylmethanone
PubChem CID155307741
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(5-methoxy-1-methylpyrrolo[2,3-b]pyridin-4-yl)-piperidin-4-ylmethanone
SMILESCOc1cnc2c(ccn2C)c1C(=O)C1CCNCC1
InChIInChI=1S/C15H19N3O2/c1-18-8-5-11-13(12(20-2)9-17-15(11)18)14(19)10-3-6-16-7-4-10/h5,8-10,16H,3-4,6-7H2,1-2H3
InChIKeyBTGRZXHCTQIHPE-UHFFFAOYSA-N
XLogP1.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-methylpyrrolo[2,3-b]pyridin-4-yl)-piperidin-4-ylmethanone?
The IUPAC name of (5-methoxy-1-methylpyrrolo[2,3-b]pyridin-4-yl)-piperidin-4-ylmethanone (CID 155307741) is (5-methoxy-1-methylpyrrolo[2,3-b]pyridin-4-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (5-methoxy-1-methylpyrrolo[2,3-b]pyridin-4-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (5-methoxy-1-methylpyrrolo[2,3-b]pyridin-4-yl)-piperidin-4-ylmethanone is COc1cnc2c(ccn2C)c1C(=O)C1CCNCC1.
What is the InChIKey of (5-methoxy-1-methylpyrrolo[2,3-b]pyridin-4-yl)-piperidin-4-ylmethanone?
The InChIKey is BTGRZXHCTQIHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-8-5-11-13(12(20-2)9-17-15(11)18)14(19)10-3-6-16-7-4-10/h5,8-10,16H,3-4,6-7H2,1-2H3.
What are the key properties of (5-methoxy-1-methylpyrrolo[2,3-b]pyridin-4-yl)-piperidin-4-ylmethanone?
(5-methoxy-1-methylpyrrolo[2,3-b]pyridin-4-yl)-piperidin-4-ylmethanone has a molecular weight of 273.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-methylpyrrolo[2,3-b]pyridin-4-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 155307741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).