1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one

C16H26N4O2 — CID 87052988

IUPAC1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one
SMILESCCOc1nccnc1NC1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C16H26N4O2/c1-4-22-16-15(17-7-8-18-16)19-13-5-9-20(10-6-13)14(21)11-12(2)3/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,17,19)
InChIKeyGOQHUUKBFQWXLQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.32
Rot. Bonds6

About 1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one

1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 87052988) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one
PubChem CID87052988
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one
SMILESCCOc1nccnc1NC1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C16H26N4O2/c1-4-22-16-15(17-7-8-18-16)19-13-5-9-20(10-6-13)14(21)11-12(2)3/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,17,19)
InChIKeyGOQHUUKBFQWXLQ-UHFFFAOYSA-N
XLogP2.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one (CID 87052988) is 1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one is CCOc1nccnc1NC1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of 1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is GOQHUUKBFQWXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-22-16-15(17-7-8-18-16)19-13-5-9-20(10-6-13)14(21)11-12(2)3/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,17,19).
What are the key properties of 1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one?
1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 306.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 87052988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).