[2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane

C24H40N2O3 — CID 145402922

IUPAC[2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane
SMILESCCCOCC.CN1CCC(C2(C(=O)c3ccccn3)CCOC(C)(C)C2)CC1
InChIInChI=1S/C19H28N2O2.C5H12O/c1-18(2)14-19(9-13-23-18,15-7-11-21(3)12-8-15)17(22)16-6-4-5-10-20-16;1-3-5-6-4-2/h4-6,10,15H,7-9,11-14H2,1-3H3;3-5H2,1-2H3
InChIKeyQYFGGZHYMSMMSB-UHFFFAOYSA-N
MW404.60 g/mol
LogP4.61
Rot. Bonds6

About [2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane

[2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane (PubChem CID 145402922) has the molecular formula C24H40N2O3 and a molecular weight of 404.60 g/mol. Its IUPAC name is [2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane.

Molecular Properties

Compound Name[2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane
PubChem CID145402922
Molecular FormulaC24H40N2O3
Molecular Weight404.60 g/mol
Exact Mass404.30
IUPAC Name[2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane
SMILESCCCOCC.CN1CCC(C2(C(=O)c3ccccn3)CCOC(C)(C)C2)CC1
InChIInChI=1S/C19H28N2O2.C5H12O/c1-18(2)14-19(9-13-23-18,15-7-11-21(3)12-8-15)17(22)16-6-4-5-10-20-16;1-3-5-6-4-2/h4-6,10,15H,7-9,11-14H2,1-3H3;3-5H2,1-2H3
InChIKeyQYFGGZHYMSMMSB-UHFFFAOYSA-N
XLogP4.61
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-propan-2-yloxypropane
CID 145402939
[(4R)-2,2-dimethyl-4-[(3S)-3-[methyl(2-propan-2-yloxyethyl)amino]pyrrolidin-1-yl]oxan-4-yl]-pyridin-2-ylmethanone
CID 139368794
[(4S)-2,2-dimethyl-4-[(3R)-3-[methyl(2-propan-2-yloxyethyl)amino]pyrrolidin-1-yl]oxan-4-yl]-pyridin-2-ylmethanone
CID 139368778
[(4S)-4-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-2,2-dimethyloxan-4-yl]-pyridin-2-ylmethanone
CID 139368797
[(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone
CID 163762168
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
[4-[4-[(3E,5Z)-4-fluoro-3-(methylideneamino)hepta-3,5-dienyl]piperazin-1-yl]-2,2-dimethyloxan-4-yl]-pyridin-2-ylmethanone
CID 145402944
1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
CID 68604423
ethyl (3aR)-1-(pyridine-2-carbonyl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate
CID 132523842
2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate
CID 174725091
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
2-ethoxy-1-[(4R)-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462380

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane?
The IUPAC name of [2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane (CID 145402922) is [2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane.
What is the SMILES notation for [2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane?
The canonical SMILES for [2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane is CCCOCC.CN1CCC(C2(C(=O)c3ccccn3)CCOC(C)(C)C2)CC1.
What is the InChIKey of [2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane?
The InChIKey is QYFGGZHYMSMMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.C5H12O/c1-18(2)14-19(9-13-23-18,15-7-11-21(3)12-8-15)17(22)16-6-4-5-10-20-16;1-3-5-6-4-2/h4-6,10,15H,7-9,11-14H2,1-3H3;3-5H2,1-2H3.
What are the key properties of [2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane?
[2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane has a molecular weight of 404.60 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane is sourced from PubChem (CID 145402922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).