[6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C18H27N5O — CID 56879099

IUPAC[6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(N2CCC3(CCNCC3)CC2)n1)N1CCCC1
InChIInChI=1S/C18H27N5O/c24-17(23-9-1-2-10-23)15-13-20-14-16(21-15)22-11-5-18(6-12-22)3-7-19-8-4-18/h13-14,19H,1-12H2
InChIKeyGYXYPLLKMWUWKO-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.68
Rot. Bonds2

About [6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56879099) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is [6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID56879099
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name[6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(N2CCC3(CCNCC3)CC2)n1)N1CCCC1
InChIInChI=1S/C18H27N5O/c24-17(23-9-1-2-10-23)15-13-20-14-16(21-15)22-11-5-18(6-12-22)3-7-19-8-4-18/h13-14,19H,1-12H2
InChIKeyGYXYPLLKMWUWKO-UHFFFAOYSA-N
XLogP1.68
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone 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 [6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 56879099) is [6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cncc(N2CCC3(CCNCC3)CC2)n1)N1CCCC1.
What is the InChIKey of [6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GYXYPLLKMWUWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c24-17(23-9-1-2-10-23)15-13-20-14-16(21-15)22-11-5-18(6-12-22)3-7-19-8-4-18/h13-14,19H,1-12H2.
What are the key properties of [6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 329.45 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,9-diazaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56879099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).