methyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate

C18H32N2O3 — CID 146186702

IUPACmethyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate
SMILESC=C1CCC(C)(C)CN1C(CC(C)C)C(=O)NCCC(=O)OC
InChIInChI=1S/C18H32N2O3/c1-13(2)11-15(17(22)19-10-8-16(21)23-6)20-12-18(4,5)9-7-14(20)3/h13,15H,3,7-12H2,1-2,4-6H3,(H,19,22)
InChIKeyOMEXMWMRLZEFHH-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.72
Rot. Bonds7

About methyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate

methyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate (PubChem CID 146186702) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is methyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate
PubChem CID146186702
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Namemethyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate
SMILESC=C1CCC(C)(C)CN1C(CC(C)C)C(=O)NCCC(=O)OC
InChIInChI=1S/C18H32N2O3/c1-13(2)11-15(17(22)19-10-8-16(21)23-6)20-12-18(4,5)9-7-14(20)3/h13,15H,3,7-12H2,1-2,4-6H3,(H,19,22)
InChIKeyOMEXMWMRLZEFHH-UHFFFAOYSA-N
XLogP2.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate with MolForge

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Related Compounds

ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide;molecular hydrogen
CID 142558098
ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen
CID 142558253
ethyl 3-[[(2S)-2-[5-[2-(dimethylamino)ethyl]-4-methyl-2,3-dioxopyrazin-1-yl]-4-methylpentanoyl]amino]propanoate
CID 175919678
N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide
CID 142558099
N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide
CID 142558254
N-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 142813728

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate (CID 146186702) is methyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate is C=C1CCC(C)(C)CN1C(CC(C)C)C(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate?
The InChIKey is OMEXMWMRLZEFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-13(2)11-15(17(22)19-10-8-16(21)23-6)20-12-18(4,5)9-7-14(20)3/h13,15H,3,7-12H2,1-2,4-6H3,(H,19,22).
What are the key properties of methyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate?
methyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate has a molecular weight of 324.47 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(5,5-dimethyl-2-methylidenepiperidin-1-yl)-4-methylpentanoyl]amino]propanoate is sourced from PubChem (CID 146186702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).