1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone

C14H18N4O2 — CID 141038603

IUPAC1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone
SMILESCN1CCN(C(=O)COc2c[nH]c3cnccc23)CC1
InChIInChI=1S/C14H18N4O2/c1-17-4-6-18(7-5-17)14(19)10-20-13-9-16-12-8-15-3-2-11(12)13/h2-3,8-9,16H,4-7,10H2,1H3
InChIKeyPTFCSJQJRCLQJK-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.72
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone

1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone (PubChem CID 141038603) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone
PubChem CID141038603
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone
SMILESCN1CCN(C(=O)COc2c[nH]c3cnccc23)CC1
InChIInChI=1S/C14H18N4O2/c1-17-4-6-18(7-5-17)14(19)10-20-13-9-16-12-8-15-3-2-11(12)13/h2-3,8-9,16H,4-7,10H2,1H3
InChIKeyPTFCSJQJRCLQJK-UHFFFAOYSA-N
XLogP0.72
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone (CID 141038603) is 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone is CN1CCN(C(=O)COc2c[nH]c3cnccc23)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone?
The InChIKey is PTFCSJQJRCLQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-4-6-18(7-5-17)14(19)10-20-13-9-16-12-8-15-3-2-11(12)13/h2-3,8-9,16H,4-7,10H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone?
1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone has a molecular weight of 274.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone is sourced from PubChem (CID 141038603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).