[6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C15H22N4O3 — CID 56741902

IUPAC[6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(N2CCC(O)(CO)CC2)n1)N1CCCC1
InChIInChI=1S/C15H22N4O3/c20-11-15(22)3-7-18(8-4-15)13-10-16-9-12(17-13)14(21)19-5-1-2-6-19/h9-10,20,22H,1-8,11H2
InChIKeyATWJQGFQQKEYMQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.04
Rot. Bonds3

About [6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56741902) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is [6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID56741902
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name[6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(N2CCC(O)(CO)CC2)n1)N1CCCC1
InChIInChI=1S/C15H22N4O3/c20-11-15(22)3-7-18(8-4-15)13-10-16-9-12(17-13)14(21)19-5-1-2-6-19/h9-10,20,22H,1-8,11H2
InChIKeyATWJQGFQQKEYMQ-UHFFFAOYSA-N
XLogP0.04
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 56741902) is [6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cncc(N2CCC(O)(CO)CC2)n1)N1CCCC1.
What is the InChIKey of [6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ATWJQGFQQKEYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-11-15(22)3-7-18(8-4-15)13-10-16-9-12(17-13)14(21)19-5-1-2-6-19/h9-10,20,22H,1-8,11H2.
What are the key properties of [6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 306.37 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56741902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).