cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone

C19H28N4O — CID 95042953

IUPACcyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(C1CCCC1)N1CCCC2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C19H28N4O/c24-18(16-4-1-2-5-16)23-11-3-6-19(15-23)7-12-22(13-8-19)17-14-20-9-10-21-17/h9-10,14,16H,1-8,11-13,15H2
InChIKeyKOCVCVVWNIVBJG-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.88
Rot. Bonds2

About cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone

cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone (PubChem CID 95042953) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
PubChem CID95042953
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Namecyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(C1CCCC1)N1CCCC2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C19H28N4O/c24-18(16-4-1-2-5-16)23-11-3-6-19(15-23)7-12-22(13-8-19)17-14-20-9-10-21-17/h9-10,14,16H,1-8,11-13,15H2
InChIKeyKOCVCVVWNIVBJG-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4-(4-Pyrazin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 44292629
8-[6-(3,3-Dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 134156861
8-[3-Hydroxy-4-(4-pyrazin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 44292790
1-adamantyl-[(2R)-2-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone
CID 71682959
1-Adamantyl-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023059
1-adamantyl-[(3R)-3-methyl-4-pyrazin-2-ylpiperazin-1-yl]methanone
CID 71682960
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclopentylmethanone
CID 95042945
Cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
CID 97393884
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclohexylmethanone
CID 97402616
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-cyclopropylethanone
CID 97508726
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-3-methylbutan-1-one
CID 97508727
3-[4-[4-(6-Chloropyrazin-2-yl)piperazin-1-yl]butyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 14156353

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone (CID 95042953) is cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone is O=C(C1CCCC1)N1CCCC2(CCN(c3cnccn3)CC2)C1.
What is the InChIKey of cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is KOCVCVVWNIVBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c24-18(16-4-1-2-5-16)23-11-3-6-19(15-23)7-12-22(13-8-19)17-14-20-9-10-21-17/h9-10,14,16H,1-8,11-13,15H2.
What are the key properties of cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 328.46 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 95042953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).