[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone

C17H26N4O2 — CID 50951522

IUPAC[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCN(c3nc(C)cnc3C)CC2)CCC1
InChIInChI=1S/C17H26N4O2/c1-13-11-18-14(2)15(19-13)20-7-9-21(10-8-20)16(22)17(12-23-3)5-4-6-17/h11H,4-10,12H2,1-3H3
InChIKeyZDHMCZNSQVZDRF-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.56
Rot. Bonds4

About [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone

[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone (PubChem CID 50951522) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
PubChem CID50951522
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCN(c3nc(C)cnc3C)CC2)CCC1
InChIInChI=1S/C17H26N4O2/c1-13-11-18-14(2)15(19-13)20-7-9-21(10-8-20)16(22)17(12-23-3)5-4-6-17/h11H,4-10,12H2,1-3H3
InChIKeyZDHMCZNSQVZDRF-UHFFFAOYSA-N
XLogP1.56
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dimethylpyrazin-2-yl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72843219
2-(3-methyl-2-pyrazinyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937531
(5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97200571
N-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide
CID 174296832
2-(3-Methoxypropyl)-8-(3-methyl-2-pyrazinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70778011
2-(3,6-Dimethylpyrazin-2-YL)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72841803
7-(2-Methoxyethyl)-2-(6-methylpyrazin-2-YL)-2,7-diazaspiro[4.5]decan-6-one
CID 72852341
8-(3,6-Dimethyl-2-pyrazinyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72888045
8-(3,6-Dimethyl-2-pyrazinyl)-2-isobutyl-2,8-diazaspiro[4.5]decan-3-one
CID 72896140
7-(Cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-YL)-2,7-diazaspiro[4.5]decan-6-one
CID 72898247
1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 86792034
3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide
CID 91648254

Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The IUPAC name of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone (CID 50951522) is [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone.
What is the SMILES notation for [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The canonical SMILES for [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone is COCC1(C(=O)N2CCN(c3nc(C)cnc3C)CC2)CCC1.
What is the InChIKey of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The InChIKey is ZDHMCZNSQVZDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-11-18-14(2)15(19-13)20-7-9-21(10-8-20)16(22)17(12-23-3)5-4-6-17/h11H,4-10,12H2,1-3H3.
What are the key properties of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone has a molecular weight of 318.42 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone is sourced from PubChem (CID 50951522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).