methyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate

C14H22N4O2 — CID 58281370

IUPACmethyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate
SMILESCC[C@H]1CN(c2cnc(C(=O)OC)cn2)[C@H](C)CN1C
InChIInChI=1S/C14H22N4O2/c1-5-11-9-18(10(2)8-17(11)3)13-7-15-12(6-16-13)14(19)20-4/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11+/m1/s1
InChIKeyDXNSYAHXUPMAJD-MNOVXSKESA-N
MW278.36 g/mol
LogP1.18
Rot. Bonds3

About methyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate

methyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate (PubChem CID 58281370) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate
PubChem CID58281370
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate
SMILESCC[C@H]1CN(c2cnc(C(=O)OC)cn2)[C@H](C)CN1C
InChIInChI=1S/C14H22N4O2/c1-5-11-9-18(10(2)8-17(11)3)13-7-15-12(6-16-13)14(19)20-4/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11+/m1/s1
InChIKeyDXNSYAHXUPMAJD-MNOVXSKESA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate (CID 58281370) is methyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate is CC[C@H]1CN(c2cnc(C(=O)OC)cn2)[C@H](C)CN1C.
What is the InChIKey of methyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate?
The InChIKey is DXNSYAHXUPMAJD-MNOVXSKESA-N. The full InChI is InChI=1S/C14H22N4O2/c1-5-11-9-18(10(2)8-17(11)3)13-7-15-12(6-16-13)14(19)20-4/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of methyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate?
methyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2R,5S)-5-ethyl-2,4-dimethylpiperazin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 58281370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).