methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate

C16H20N4O2 — CID 133448398

IUPACmethyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC(c3ncc[nH]3)C2)nc1C
InChIInChI=1S/C16H20N4O2/c1-11-13(16(21)22-2)5-6-14(19-11)20-9-3-4-12(10-20)15-17-7-8-18-15/h5-8,12H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyCBSACYJLKCXJIF-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.28
Rot. Bonds3

About methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate

methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate (PubChem CID 133448398) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
PubChem CID133448398
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Namemethyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC(c3ncc[nH]3)C2)nc1C
InChIInChI=1S/C16H20N4O2/c1-11-13(16(21)22-2)5-6-14(19-11)20-9-3-4-12(10-20)15-17-7-8-18-15/h5-8,12H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyCBSACYJLKCXJIF-UHFFFAOYSA-N
XLogP2.28
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 102986351
methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 113337632
methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate
CID 133391396
methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate
CID 133420753
methyl 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]acetate
CID 97319118
2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137257707
methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate
CID 133421229
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrazine
CID 133448364
5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 72844232
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133448356
methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate
CID 133465271
methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate
CID 133432159

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate (CID 133448398) is methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(N2CCCC(c3ncc[nH]3)C2)nc1C.
What is the InChIKey of methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate?
The InChIKey is CBSACYJLKCXJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-13(16(21)22-2)5-6-14(19-11)20-9-3-4-12(10-20)15-17-7-8-18-15/h5-8,12H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate?
methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 133448398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).