propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate

C25H40N2O3 — CID 134538430

IUPACpropan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESC=Cc1c(C)nc(C)c(C(OC(C)(C)C)C(=O)OC(C)C)c1N1CCC(C)(C)CC1
InChIInChI=1S/C25H40N2O3/c1-11-19-17(4)26-18(5)20(21(19)27-14-12-25(9,10)13-15-27)22(30-24(6,7)8)23(28)29-16(2)3/h11,16,22H,1,12-15H2,2-10H3
InChIKeyJCFDOAWFMAVAJJ-UHFFFAOYSA-N
MW416.61 g/mol
LogP5.78
Rot. Bonds6

About propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate

propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 134538430) has the molecular formula C25H40N2O3 and a molecular weight of 416.61 g/mol. Its IUPAC name is propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID134538430
Molecular FormulaC25H40N2O3
Molecular Weight416.61 g/mol
Exact Mass416.30
IUPAC Namepropan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESC=Cc1c(C)nc(C)c(C(OC(C)(C)C)C(=O)OC(C)C)c1N1CCC(C)(C)CC1
InChIInChI=1S/C25H40N2O3/c1-11-19-17(4)26-18(5)20(21(19)27-14-12-25(9,10)13-15-27)22(30-24(6,7)8)23(28)29-16(2)3/h11,16,22H,1,12-15H2,2-10H3
InChIKeyJCFDOAWFMAVAJJ-UHFFFAOYSA-N
XLogP5.78
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate with MolForge

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Related Compounds

propan-2-yl 2-[5-bromo-4-(4,4-dimethylpiperidin-1-yl)-6-(hydroxymethylsulfonyl)-2-methyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 135207235
propan-2-yl (2S)-2-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 118307854
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-hydroxyphenyl)-2-methyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 135206768
ethane;propan-2-yl (2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-(6-fluoro-3-pyridinyl)-2-methyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 153378057
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[6-[(E)-3-methylbut-1-enyl]-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 135207280
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-5-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 134607682
2-[5-bromo-4-(4,4-dimethylpiperidin-1-yl)-6-formyl-2-methyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 134538444
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[6-(2-methylpropylamino)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 146373342
propan-2-yl (2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[6-(2-methylpropylamino)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 135206306
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutyl)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 146373655
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 134607641
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-(1-ethoxypropan-2-yloxy)-3-pyridinyl]-2-methyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 146277242

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 134538430) is propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate is C=Cc1c(C)nc(C)c(C(OC(C)(C)C)C(=O)OC(C)C)c1N1CCC(C)(C)CC1.
What is the InChIKey of propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is JCFDOAWFMAVAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O3/c1-11-19-17(4)26-18(5)20(21(19)27-14-12-25(9,10)13-15-27)22(30-24(6,7)8)23(28)29-16(2)3/h11,16,22H,1,12-15H2,2-10H3.
What are the key properties of propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate?
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 416.61 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-ethenyl-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 134538430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).