methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate

C18H20N4O3 — CID 109274586

IUPACmethyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cnc(N3CCCCC3)cn2)c1
InChIInChI=1S/C18H20N4O3/c1-25-18(24)13-6-5-7-14(10-13)21-17(23)15-11-20-16(12-19-15)22-8-3-2-4-9-22/h5-7,10-12H,2-4,8-9H2,1H3,(H,21,23)
InChIKeyJCZXLGAWQCTUFX-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.51
Rot. Bonds4

About methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate

methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate (PubChem CID 109274586) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
PubChem CID109274586
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Namemethyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cnc(N3CCCCC3)cn2)c1
InChIInChI=1S/C18H20N4O3/c1-25-18(24)13-6-5-7-14(10-13)21-17(23)15-11-20-16(12-19-15)22-8-3-2-4-9-22/h5-7,10-12H,2-4,8-9H2,1H3,(H,21,23)
InChIKeyJCZXLGAWQCTUFX-UHFFFAOYSA-N
XLogP2.51
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109288853
methyl 3-[[2-(azepan-1-yl)pyrimidine-5-carbonyl]amino]benzoate
CID 109265014
N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278366
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
methyl 3-[(2-pyrrolidin-1-ylpyrimidine-5-carbonyl)amino]benzoate
CID 109249479
5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 109289409
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109294195
5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109279251
5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339
N-(3,5-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274620
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate (CID 109274586) is methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cnc(N3CCCCC3)cn2)c1.
What is the InChIKey of methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate?
The InChIKey is JCZXLGAWQCTUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-25-18(24)13-6-5-7-14(10-13)21-17(23)15-11-20-16(12-19-15)22-8-3-2-4-9-22/h5-7,10-12H,2-4,8-9H2,1H3,(H,21,23).
What are the key properties of methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate?
methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate has a molecular weight of 340.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 109274586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).