(2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone

C23H31N3O3 — CID 156793422

IUPAC(2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone
SMILESCCOc1nc(C)ccc1C(=O)N1CCC(Cc2ccccc2CNC)C(O)C1
InChIInChI=1S/C23H31N3O3/c1-4-29-22-20(10-9-16(2)25-22)23(28)26-12-11-18(21(27)15-26)13-17-7-5-6-8-19(17)14-24-3/h5-10,18,21,24,27H,4,11-15H2,1-3H3
InChIKeyDMINVNINAFCGKL-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.57
Rot. Bonds7

About (2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone

(2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone (PubChem CID 156793422) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is (2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone
PubChem CID156793422
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name(2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone
SMILESCCOc1nc(C)ccc1C(=O)N1CCC(Cc2ccccc2CNC)C(O)C1
InChIInChI=1S/C23H31N3O3/c1-4-29-22-20(10-9-16(2)25-22)23(28)26-12-11-18(21(27)15-26)13-17-7-5-6-8-19(17)14-24-3/h5-10,18,21,24,27H,4,11-15H2,1-3H3
InChIKeyDMINVNINAFCGKL-UHFFFAOYSA-N
XLogP2.57
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(6-iodo-2-methoxy-3-pyridinyl)methanone
CID 156532995
(2-ethoxy-6-methyl-3-pyridinyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 119047088
(2-ethoxy-6-methyl-3-pyridinyl)-[(2S)-2-(5-methylfuran-2-yl)morpholin-4-yl]methanone
CID 100705820
(2-ethoxy-3-pyridinyl)-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124949318
(2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 136535580
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(2-ethylphenyl)methanone
CID 56887256
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 129355268
(2,6-dimethyl-3-pyridinyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466183
(2-ethoxy-6-methyl-3-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412757
2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 3415479
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 56885604
(2-ethoxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506351

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone (CID 156793422) is (2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone is CCOc1nc(C)ccc1C(=O)N1CCC(Cc2ccccc2CNC)C(O)C1.
What is the InChIKey of (2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone?
The InChIKey is DMINVNINAFCGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-4-29-22-20(10-9-16(2)25-22)23(28)26-12-11-18(21(27)15-26)13-17-7-5-6-8-19(17)14-24-3/h5-10,18,21,24,27H,4,11-15H2,1-3H3.
What are the key properties of (2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone?
(2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone has a molecular weight of 397.52 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 156793422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).