[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone

C16H24N4O3 — CID 87052998

IUPAC[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCCOc1nccnc1NC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H24N4O3/c1-2-22-15-14(17-7-8-18-15)19-12-5-9-20(10-6-12)16(21)13-4-3-11-23-13/h7-8,12-13H,2-6,9-11H2,1H3,(H,17,19)
InChIKeyASFMFVWKQDUDNP-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.46
Rot. Bonds5

About [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone

[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 87052998) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID87052998
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCCOc1nccnc1NC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H24N4O3/c1-2-22-15-14(17-7-8-18-15)19-12-5-9-20(10-6-12)16(21)13-4-3-11-23-13/h7-8,12-13H,2-6,9-11H2,1H3,(H,17,19)
InChIKeyASFMFVWKQDUDNP-UHFFFAOYSA-N
XLogP1.46
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone 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 [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 87052998) is [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone is CCOc1nccnc1NC1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is ASFMFVWKQDUDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-2-22-15-14(17-7-8-18-15)19-12-5-9-20(10-6-12)16(21)13-4-3-11-23-13/h7-8,12-13H,2-6,9-11H2,1H3,(H,17,19).
What are the key properties of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 320.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 87052998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).