methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate

C20H20N2O4 — CID 33364889

IUPACmethyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)nc1
InChIInChI=1S/C20H20N2O4/c1-26-20(25)16-7-8-17(21-13-16)19(24)22-11-9-15(10-12-22)18(23)14-5-3-2-4-6-14/h2-8,13,15H,9-12H2,1H3
InChIKeyRKCCTZYLENTQCO-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.60
Rot. Bonds4

About methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate

methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate (PubChem CID 33364889) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
PubChem CID33364889
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)nc1
InChIInChI=1S/C20H20N2O4/c1-26-20(25)16-7-8-17(21-13-16)19(24)22-11-9-15(10-12-22)18(23)14-5-3-2-4-6-14/h2-8,13,15H,9-12H2,1H3
InChIKeyRKCCTZYLENTQCO-UHFFFAOYSA-N
XLogP2.60
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 38175380
methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 42945586
(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 141265347
(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
CID 33365935
methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
CID 31703991
methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate
CID 36801576
methyl 6-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 3771364
methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 4586707
(4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
CID 51324265
methyl 6-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylate
CID 87046966
6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 103536805
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate (CID 33364889) is methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)nc1.
What is the InChIKey of methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate?
The InChIKey is RKCCTZYLENTQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-26-20(25)16-7-8-17(21-13-16)19(24)22-11-9-15(10-12-22)18(23)14-5-3-2-4-6-14/h2-8,13,15H,9-12H2,1H3.
What are the key properties of methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate?
methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate is sourced from PubChem (CID 33364889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).