1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone

C15H19N3O — CID 118078508

IUPAC1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone
SMILESCc1[nH]c2cccnc2c1C(=O)CN1CCCCC1
InChIInChI=1S/C15H19N3O/c1-11-14(15-12(17-11)6-5-7-16-15)13(19)10-18-8-3-2-4-9-18/h5-7,17H,2-4,8-10H2,1H3
InChIKeyXQHGWMFJQSUXFH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.54
Rot. Bonds3

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

1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone (PubChem CID 118078508) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone
PubChem CID118078508
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone
SMILESCc1[nH]c2cccnc2c1C(=O)CN1CCCCC1
InChIInChI=1S/C15H19N3O/c1-11-14(15-12(17-11)6-5-7-16-15)13(19)10-18-8-3-2-4-9-18/h5-7,17H,2-4,8-10H2,1H3
InChIKeyXQHGWMFJQSUXFH-UHFFFAOYSA-N
XLogP2.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone (CID 118078508) is 1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone is Cc1[nH]c2cccnc2c1C(=O)CN1CCCCC1.
What is the InChIKey of 1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone?
The InChIKey is XQHGWMFJQSUXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-14(15-12(17-11)6-5-7-16-15)13(19)10-18-8-3-2-4-9-18/h5-7,17H,2-4,8-10H2,1H3.
What are the key properties of 1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone?
1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone has a molecular weight of 257.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 118078508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).