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

C18H27N3O2 — CID 45231295

IUPAC[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone
SMILESC=C(C)CN(C)c1ccc(C(=O)N2CCCC(COC)C2)cn1
InChIInChI=1S/C18H27N3O2/c1-14(2)11-20(3)17-8-7-16(10-19-17)18(22)21-9-5-6-15(12-21)13-23-4/h7-8,10,15H,1,5-6,9,11-13H2,2-4H3
InChIKeyKRYODPRVPHXIGR-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.59
Rot. Bonds6

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

[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone (PubChem CID 45231295) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone
PubChem CID45231295
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone
SMILESC=C(C)CN(C)c1ccc(C(=O)N2CCCC(COC)C2)cn1
InChIInChI=1S/C18H27N3O2/c1-14(2)11-20(3)17-8-7-16(10-19-17)18(22)21-9-5-6-15(12-21)13-23-4/h7-8,10,15H,1,5-6,9,11-13H2,2-4H3
InChIKeyKRYODPRVPHXIGR-UHFFFAOYSA-N
XLogP2.59
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

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Related Compounds

[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 28956848
[6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 95200791
[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
1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 29027691
[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
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568
(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

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone?
The IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone (CID 45231295) is [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone.
What is the SMILES notation for [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone?
The canonical SMILES for [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone is C=C(C)CN(C)c1ccc(C(=O)N2CCCC(COC)C2)cn1.
What is the InChIKey of [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone?
The InChIKey is KRYODPRVPHXIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(2)11-20(3)17-8-7-16(10-19-17)18(22)21-9-5-6-15(12-21)13-23-4/h7-8,10,15H,1,5-6,9,11-13H2,2-4H3.
What are the key properties of [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone?
[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone has a molecular weight of 317.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone is sourced from PubChem (CID 45231295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).