methyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate

C13H20N4O4 — CID 54094600

IUPACmethyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1N1CCN(CC(O)CO)CC1
InChIInChI=1S/C13H20N4O4/c1-21-13(20)11-12(15-3-2-14-11)17-6-4-16(5-7-17)8-10(19)9-18/h2-3,10,18-19H,4-9H2,1H3
InChIKeyMWFUBVWIRWTOFC-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.26
Rot. Bonds5

About methyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate

methyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate (PubChem CID 54094600) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate
PubChem CID54094600
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Namemethyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1N1CCN(CC(O)CO)CC1
InChIInChI=1S/C13H20N4O4/c1-21-13(20)11-12(15-3-2-14-11)17-6-4-16(5-7-17)8-10(19)9-18/h2-3,10,18-19H,4-9H2,1H3
InChIKeyMWFUBVWIRWTOFC-UHFFFAOYSA-N
XLogP-1.26
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Methyl 6-[(2,3-dihydroxypropyl)amino]-3-nitropyrazine-2-carboxylate
CID 15914243
5-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}pyrazine-2-carboxylic acid
CID 45789761
5-(Morpholin-4-yl)pyrazine-2-carboxylic acid
CID 45789762
6-(2,6-Dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid
CID 479362
Methyl 6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carboxylate
CID 479363
Sodium 3-morpholin-4-ylpyrazine-2-carboxylate
CID 168287441
3-Morpholin-4-ylpyrazine-2-carboxylic acid
CID 15563990
6-morpholin-4-ylpyrazine-2-carboxylic Acid
CID 2762562
3-(Diethylamino)pyrazine-2-carboxylic acid
CID 62701473
Methyl 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine-2-carboxylate
CID 66451499
2-[(6-Methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258236
Methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate
CID 107480385

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate (CID 54094600) is methyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate is COC(=O)c1nccnc1N1CCN(CC(O)CO)CC1.
What is the InChIKey of methyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate?
The InChIKey is MWFUBVWIRWTOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-21-13(20)11-12(15-3-2-14-11)17-6-4-16(5-7-17)8-10(19)9-18/h2-3,10,18-19H,4-9H2,1H3.
What are the key properties of methyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate?
methyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate has a molecular weight of 296.33 g/mol, XLogP of -1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 54094600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).