1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone

C19H28N4O — CID 172891275

IUPAC1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone
SMILESCc1cncc(N2CCC(CC(=O)N3CC4CCCC4C3)CC2)n1
InChIInChI=1S/C19H28N4O/c1-14-10-20-11-18(21-14)22-7-5-15(6-8-22)9-19(24)23-12-16-3-2-4-17(16)13-23/h10-11,15-17H,2-9,12-13H2,1H3
InChIKeyMZKRLNOQOKOISB-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.65
Rot. Bonds3

About 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone (PubChem CID 172891275) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone
PubChem CID172891275
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone
SMILESCc1cncc(N2CCC(CC(=O)N3CC4CCCC4C3)CC2)n1
InChIInChI=1S/C19H28N4O/c1-14-10-20-11-18(21-14)22-7-5-15(6-8-22)9-19(24)23-12-16-3-2-4-17(16)13-23/h10-11,15-17H,2-9,12-13H2,1H3
InChIKeyMZKRLNOQOKOISB-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone (CID 172891275) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone is Cc1cncc(N2CCC(CC(=O)N3CC4CCCC4C3)CC2)n1.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone?
The InChIKey is MZKRLNOQOKOISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-10-20-11-18(21-14)22-7-5-15(6-8-22)9-19(24)23-12-16-3-2-4-17(16)13-23/h10-11,15-17H,2-9,12-13H2,1H3.
What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone?
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone has a molecular weight of 328.46 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 172891275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).