methyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate

C22H30N4O3 — CID 168975276

IUPACmethyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate
SMILESCCCCc1cnc(-c2ccc(OC)cc2)c(N2CCN(CC(=O)OC)CC2)n1
InChIInChI=1S/C22H30N4O3/c1-4-5-6-18-15-23-21(17-7-9-19(28-2)10-8-17)22(24-18)26-13-11-25(12-14-26)16-20(27)29-3/h7-10,15H,4-6,11-14,16H2,1-3H3
InChIKeyGBNSOZRLRGXMBL-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.79
Rot. Bonds8

About methyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate

methyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate (PubChem CID 168975276) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is methyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate
PubChem CID168975276
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Namemethyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate
SMILESCCCCc1cnc(-c2ccc(OC)cc2)c(N2CCN(CC(=O)OC)CC2)n1
InChIInChI=1S/C22H30N4O3/c1-4-5-6-18-15-23-21(17-7-9-19(28-2)10-8-17)22(24-18)26-13-11-25(12-14-26)16-20(27)29-3/h7-10,15H,4-6,11-14,16H2,1-3H3
InChIKeyGBNSOZRLRGXMBL-UHFFFAOYSA-N
XLogP2.79
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-butyl-2-(4-methoxyphenyl)-3-(4-methylsulfonylpiperidin-1-yl)pyrazine
CID 168974943
1-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]-N'-hydrazinylpiperidine-4-carboximidamide
CID 170001295
2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid
CID 138532303
1-[6-butyl-3-[3-fluoro-4-(2-methoxyethoxy)phenyl]pyrazin-2-yl]piperidine-4-carboxylic acid
CID 168974908
methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate
CID 71922971
6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole
CID 175918144
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate
CID 133333932
1-[6-(3,3-difluorobutyl)-3-[4-(2-methoxyethoxy)phenyl]pyrazin-2-yl]piperidine-4-carboxylic acid
CID 168975048
4-[6-butyl-3-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]benzoic acid
CID 138654234
1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline
CID 22503036

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate (CID 168975276) is methyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate is CCCCc1cnc(-c2ccc(OC)cc2)c(N2CCN(CC(=O)OC)CC2)n1.
What is the InChIKey of methyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate?
The InChIKey is GBNSOZRLRGXMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-4-5-6-18-15-23-21(17-7-9-19(28-2)10-8-17)22(24-18)26-13-11-25(12-14-26)16-20(27)29-3/h7-10,15H,4-6,11-14,16H2,1-3H3.
What are the key properties of methyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate?
methyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate has a molecular weight of 398.51 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate is sourced from PubChem (CID 168975276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).