methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate

C12H16ClN3O2 — CID 103055325

IUPACmethyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(Cc2cnc(Cl)cn2)C1
InChIInChI=1S/C12H16ClN3O2/c1-18-12(17)9-3-2-4-16(7-9)8-10-5-15-11(13)6-14-10/h5-6,9H,2-4,7-8H2,1H3/t9-/m0/s1
InChIKeyLJCZNLKQFRLFBR-VIFPVBQESA-N
MW269.73 g/mol
LogP1.51
Rot. Bonds3

About methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate

methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate (PubChem CID 103055325) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate
PubChem CID103055325
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Namemethyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(Cc2cnc(Cl)cn2)C1
InChIInChI=1S/C12H16ClN3O2/c1-18-12(17)9-3-2-4-16(7-9)8-10-5-15-11(13)6-14-10/h5-6,9H,2-4,7-8H2,1H3/t9-/m0/s1
InChIKeyLJCZNLKQFRLFBR-VIFPVBQESA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 78920357
methyl 1-[(3,6-dichloro-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 113330922
1-[(5-chloropyrazin-2-yl)methyl]piperidin-3-ol
CID 103054140
methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate
CID 103056712
methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate
CID 115533762
methyl 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine
CID 103054391
methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
CID 78920324
methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 112550259
methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 104956290

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate (CID 103055325) is methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(Cc2cnc(Cl)cn2)C1.
What is the InChIKey of methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate?
The InChIKey is LJCZNLKQFRLFBR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-18-12(17)9-3-2-4-16(7-9)8-10-5-15-11(13)6-14-10/h5-6,9H,2-4,7-8H2,1H3/t9-/m0/s1.
What are the key properties of methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate?
methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate has a molecular weight of 269.73 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 103055325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).