methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate

C12H16ClN3O2 — CID 103055321

IUPACmethyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1Cc1cnc(Cl)cn1
InChIInChI=1S/C12H16ClN3O2/c1-18-12(17)10-4-2-3-5-16(10)8-9-6-15-11(13)7-14-9/h6-7,10H,2-5,8H2,1H3
InChIKeyWNCFLLVMWWPBLY-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.66
Rot. Bonds3

About methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate

methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate (PubChem CID 103055321) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate
PubChem CID103055321
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Namemethyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1Cc1cnc(Cl)cn1
InChIInChI=1S/C12H16ClN3O2/c1-18-12(17)10-4-2-3-5-16(10)8-9-6-15-11(13)7-14-9/h6-7,10H,2-5,8H2,1H3
InChIKeyWNCFLLVMWWPBLY-UHFFFAOYSA-N
XLogP1.66
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate
CID 103055728
methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate
CID 103055325
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate
CID 79833064
methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate
CID 78990366
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate
CID 115537833
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl (2S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylate
CID 97066427
methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
CID 79833729

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate (CID 103055321) is methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1Cc1cnc(Cl)cn1.
What is the InChIKey of methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate?
The InChIKey is WNCFLLVMWWPBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-18-12(17)10-4-2-3-5-16(10)8-9-6-15-11(13)7-14-9/h6-7,10H,2-5,8H2,1H3.
What are the key properties of methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate?
methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate has a molecular weight of 269.73 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 103055321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).