3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone

C18H26N4O — CID 175648087

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone
SMILESCc1cnc(C)c(N2CCC(C(=O)N3CC4CCCC4C3)C2)n1
InChIInChI=1S/C18H26N4O/c1-12-8-19-13(2)17(20-12)21-7-6-16(11-21)18(23)22-9-14-4-3-5-15(14)10-22/h8,14-16H,3-7,9-11H2,1-2H3
InChIKeyRAKFFRJXKRZKEQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.18
Rot. Bonds2

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone (PubChem CID 175648087) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone
PubChem CID175648087
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone
SMILESCc1cnc(C)c(N2CCC(C(=O)N3CC4CCCC4C3)C2)n1
InChIInChI=1S/C18H26N4O/c1-12-8-19-13(2)17(20-12)21-7-6-16(11-21)18(23)22-9-14-4-3-5-15(14)10-22/h8,14-16H,3-7,9-11H2,1-2H3
InChIKeyRAKFFRJXKRZKEQ-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone with MolForge

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Related Compounds

1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
CID 133470261
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one
CID 45213447
1-(3,6-dimethylpyrazin-2-yl)-N,N-diethylpiperidine-4-carboxamide
CID 133469139
2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide
CID 126808174
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanone
CID 171992743
1-(3,6-dimethylpyrazin-2-yl)-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 99855067
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone
CID 175648275
2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine
CID 70724831
3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine
CID 80680091
3-(3-bromo-4-methylpiperidin-1-yl)-2,5-dimethylpyrazine
CID 102961228
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanone
CID 171992958

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone (CID 175648087) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone is Cc1cnc(C)c(N2CCC(C(=O)N3CC4CCCC4C3)C2)n1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone?
The InChIKey is RAKFFRJXKRZKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-12-8-19-13(2)17(20-12)21-7-6-16(11-21)18(23)22-9-14-4-3-5-15(14)10-22/h8,14-16H,3-7,9-11H2,1-2H3.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone has a molecular weight of 314.43 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 175648087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).