methyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate

C15H27NO3 — CID 29182134

IUPACmethyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate
SMILESCOC(=O)CCC1CCN(C(=O)CCC(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-12(2)4-6-14(17)16-10-8-13(9-11-16)5-7-15(18)19-3/h12-13H,4-11H2,1-3H3
InChIKeyVODHFZADKNNLLA-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.61
Rot. Bonds6

About methyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate

methyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate (PubChem CID 29182134) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate
PubChem CID29182134
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate
SMILESCOC(=O)CCC1CCN(C(=O)CCC(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-12(2)4-6-14(17)16-10-8-13(9-11-16)5-7-15(18)19-3/h12-13H,4-11H2,1-3H3
InChIKeyVODHFZADKNNLLA-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate?
The IUPAC name of methyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate (CID 29182134) is methyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate.
What is the SMILES notation for methyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate?
The canonical SMILES for methyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate is COC(=O)CCC1CCN(C(=O)CCC(C)C)CC1.
What is the InChIKey of methyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate?
The InChIKey is VODHFZADKNNLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(2)4-6-14(17)16-10-8-13(9-11-16)5-7-15(18)19-3/h12-13H,4-11H2,1-3H3.
What are the key properties of methyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate?
methyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate has a molecular weight of 269.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(4-methylpentanoyl)piperidin-4-yl]propanoate is sourced from PubChem (CID 29182134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).