2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid

C13H18N4O3 — CID 119346169

IUPAC2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H18N4O3/c1-16(9-12(18)19)13(20)10-2-6-17(7-3-10)11-8-14-4-5-15-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyTUQDCPQDMLOTKB-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.24
Rot. Bonds4

About 2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid

2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid (PubChem CID 119346169) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid
PubChem CID119346169
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H18N4O3/c1-16(9-12(18)19)13(20)10-2-6-17(7-3-10)11-8-14-4-5-15-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyTUQDCPQDMLOTKB-UHFFFAOYSA-N
XLogP0.24
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134005797
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792182
N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 134004681
N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 146123959
1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 166603322
N-[2-(N-methylanilino)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134035168
(2-methylpiperidin-1-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 171473302
N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222636
N-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 56788151
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134053537
2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879709
2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid
CID 43356245

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid (CID 119346169) is 2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)C1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid?
The InChIKey is TUQDCPQDMLOTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-16(9-12(18)19)13(20)10-2-6-17(7-3-10)11-8-14-4-5-15-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid?
2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 119346169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).