[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone

C17H27N3O3 — CID 28956848

IUPAC[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCCN(C)c1ccc(C(=O)N2CCC[C@@H](COC)C2)cn1
InChIInChI=1S/C17H27N3O3/c1-19(9-10-22-2)16-7-6-15(11-18-16)17(21)20-8-4-5-14(12-20)13-23-3/h6-7,11,14H,4-5,8-10,12-13H2,1-3H3/t14-/m1/s1
InChIKeyBUQCWPOJGXAAOA-CQSZACIVSA-N
MW321.42 g/mol
LogP1.66
Rot. Bonds7

About [6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone

[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 28956848) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is [6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID28956848
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCCN(C)c1ccc(C(=O)N2CCC[C@@H](COC)C2)cn1
InChIInChI=1S/C17H27N3O3/c1-19(9-10-22-2)16-7-6-15(11-18-16)17(21)20-8-4-5-14(12-20)13-23-3/h6-7,11,14H,4-5,8-10,12-13H2,1-3H3/t14-/m1/s1
InChIKeyBUQCWPOJGXAAOA-CQSZACIVSA-N
XLogP1.66
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 95200791
[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone
CID 45231295
[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 45232084
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 28957540
[3-(methoxymethyl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 45232737
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 95188150
(3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119381632
(4-hydrazinylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588870
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone
CID 95210050
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone
CID 95210051
3-[3-(methoxymethyl)piperidine-1-carbonyl]benzonitrile
CID 90504865

Frequently Asked Questions

What is the IUPAC name of [6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone (CID 28956848) is [6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone is COCCN(C)c1ccc(C(=O)N2CCC[C@@H](COC)C2)cn1.
What is the InChIKey of [6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is BUQCWPOJGXAAOA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-19(9-10-22-2)16-7-6-15(11-18-16)17(21)20-8-4-5-14(12-20)13-23-3/h6-7,11,14H,4-5,8-10,12-13H2,1-3H3/t14-/m1/s1.
What are the key properties of [6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 321.42 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 28956848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).