[1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone

C16H25N5O2 — CID 138058036

IUPAC[1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCNc1nccnc1N1CCCC(O)(C(=O)N2CCCC2)C1
InChIInChI=1S/C16H25N5O2/c1-2-17-13-14(19-8-7-18-13)21-11-5-6-16(23,12-21)15(22)20-9-3-4-10-20/h7-8,23H,2-6,9-12H2,1H3,(H,17,18)
InChIKeyIZXLKZNIIDSHAV-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.86
Rot. Bonds4

About [1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 138058036) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is [1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID138058036
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name[1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCNc1nccnc1N1CCCC(O)(C(=O)N2CCCC2)C1
InChIInChI=1S/C16H25N5O2/c1-2-17-13-14(19-8-7-18-13)21-11-5-6-16(23,12-21)15(22)20-9-3-4-10-20/h7-8,23H,2-6,9-12H2,1H3,(H,17,18)
InChIKeyIZXLKZNIIDSHAV-UHFFFAOYSA-N
XLogP0.86
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 138058036) is [1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone is CCNc1nccnc1N1CCCC(O)(C(=O)N2CCCC2)C1.
What is the InChIKey of [1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IZXLKZNIIDSHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-2-17-13-14(19-8-7-18-13)21-11-5-6-16(23,12-21)15(22)20-9-3-4-10-20/h7-8,23H,2-6,9-12H2,1H3,(H,17,18).
What are the key properties of [1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 319.41 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(ethylamino)pyrazin-2-yl]-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 138058036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).