methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate

C16H21N3O2 — CID 79037670

IUPACmethyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(Cc2cn3cc(C)ccc3n2)C1
InChIInChI=1S/C16H21N3O2/c1-12-5-6-15-17-14(11-19(15)8-12)10-18-7-3-4-13(9-18)16(20)21-2/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyXWAZXEVJWFXMOG-ZDUSSCGKSA-N
MW287.36 g/mol
LogP2.03
Rot. Bonds3

About methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate

methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate (PubChem CID 79037670) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate
PubChem CID79037670
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namemethyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(Cc2cn3cc(C)ccc3n2)C1
InChIInChI=1S/C16H21N3O2/c1-12-5-6-15-17-14(11-19(15)8-12)10-18-7-3-4-13(9-18)16(20)21-2/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyXWAZXEVJWFXMOG-ZDUSSCGKSA-N
XLogP2.03
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-2-carboxylate
CID 78915575
1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910049
methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
CID 78920324
2-[1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728593
4-methyl-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-ol
CID 103897964
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952
methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate
CID 115533762
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
2-[[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 97131224
methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate
CID 103055325
2-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521725
methyl 1-[(3,6-dichloro-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 113330922

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate (CID 79037670) is methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(Cc2cn3cc(C)ccc3n2)C1.
What is the InChIKey of methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate?
The InChIKey is XWAZXEVJWFXMOG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-5-6-15-17-14(11-19(15)8-12)10-18-7-3-4-13(9-18)16(20)21-2/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate?
methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 79037670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).