[3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone

C19H26N4O2 — CID 74238564

IUPAC[3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESCCCCC1C=CCN1C(=O)c1nccnc1C(=O)N1CCCCC1
InChIInChI=1S/C19H26N4O2/c1-2-3-8-15-9-7-14-23(15)19(25)17-16(20-10-11-21-17)18(24)22-12-5-4-6-13-22/h7,9-11,15H,2-6,8,12-14H2,1H3
InChIKeyJFOONCAPLMJUSL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.67
Rot. Bonds5

About [3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone

[3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 74238564) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID74238564
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESCCCCC1C=CCN1C(=O)c1nccnc1C(=O)N1CCCCC1
InChIInChI=1S/C19H26N4O2/c1-2-3-8-15-9-7-14-23(15)19(25)17-16(20-10-11-21-17)18(24)22-12-5-4-6-13-22/h7,9-11,15H,2-6,8,12-14H2,1H3
InChIKeyJFOONCAPLMJUSL-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 77085631
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone
CID 95549980
[(2S)-2-butyl-2,5-dihydropyrrol-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 95550344
2-[4-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-N-methylpyridine-4-carboxamide
CID 126430092
[4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone
CID 164638599
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone
CID 77080412
N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125168534
(2R)-2-butyl-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2,5-dihydropyrrole-1-carboxamide
CID 97286220
1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 95221192
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 118791672
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125173578

Frequently Asked Questions

What is the IUPAC name of [3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone (CID 74238564) is [3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone is CCCCC1C=CCN1C(=O)c1nccnc1C(=O)N1CCCCC1.
What is the InChIKey of [3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is JFOONCAPLMJUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-3-8-15-9-7-14-23(15)19(25)17-16(20-10-11-21-17)18(24)22-12-5-4-6-13-22/h7,9-11,15H,2-6,8,12-14H2,1H3.
What are the key properties of [3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone?
[3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 342.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 74238564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).