methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate

C20H25N3O2 — CID 10759534

IUPACmethyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N(C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-22(19-18(20(24)25-2)9-6-12-21-19)17-10-13-23(14-11-17)15-16-7-4-3-5-8-16/h3-9,12,17H,10-11,13-15H2,1-2H3
InChIKeyBKGVKAYJMCFNPS-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.97
Rot. Bonds5

About methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate

methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate (PubChem CID 10759534) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate
PubChem CID10759534
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Namemethyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N(C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-22(19-18(20(24)25-2)9-6-12-21-19)17-10-13-23(14-11-17)15-16-7-4-3-5-8-16/h3-9,12,17H,10-11,13-15H2,1-2H3
InChIKeyBKGVKAYJMCFNPS-UHFFFAOYSA-N
XLogP2.97
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1-benzylpiperidin-4-yl)-3-N-(1-ethoxycyclopropyl)-2-N-methylpyridine-2,3-diamine
CID 10643521
propan-2-yl 2-[[(3R)-1-[[3-(4-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]-methylamino]pyridine-3-carboxylate
CID 67322833
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
methyl 4-[(1-benzylpyrrolidin-3-yl)-methylamino]quinazoline-7-carboxylate
CID 166207570
propan-2-yl 2-[methyl-[(3R)-1-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate
CID 89388318
methyl 2-(N-benzyl-4-chloroanilino)pyridine-3-carboxylate
CID 19800234
methyl 2-[[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-methylamino]benzoate
CID 19139370
propan-2-yl 2-[[1-[[2-(4-chlorophenoxy)phenyl]methyl]pyrrolidin-3-yl]-methylamino]pyridine-3-carboxylate
CID 77266690
methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate
CID 19913817
methyl 2-(N-(2-chloroacetyl)anilino)pyridine-3-carboxylate
CID 14677650
methyl 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]sulfonylbenzoate
CID 24731908
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate (CID 10759534) is methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate is COC(=O)c1cccnc1N(C)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate?
The InChIKey is BKGVKAYJMCFNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22(19-18(20(24)25-2)9-6-12-21-19)17-10-13-23(14-11-17)15-16-7-4-3-5-8-16/h3-9,12,17H,10-11,13-15H2,1-2H3.
What are the key properties of methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate?
methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 10759534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).