ethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate

C15H27NO3 — CID 70974033

IUPACethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate
SMILESCCOC(=O)C(C)N1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-6-19-14(18)11(2)16-9-7-12(8-10-16)13(17)15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyJECQGGDWNRDCLM-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.27
Rot. Bonds4

About ethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate

ethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate (PubChem CID 70974033) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate
PubChem CID70974033
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate
SMILESCCOC(=O)C(C)N1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-6-19-14(18)11(2)16-9-7-12(8-10-16)13(17)15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyJECQGGDWNRDCLM-UHFFFAOYSA-N
XLogP2.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate?
The IUPAC name of ethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate (CID 70974033) is ethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate.
What is the SMILES notation for ethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate?
The canonical SMILES for ethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate is CCOC(=O)C(C)N1CCC(C(=O)C(C)(C)C)CC1.
What is the InChIKey of ethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate?
The InChIKey is JECQGGDWNRDCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-6-19-14(18)11(2)16-9-7-12(8-10-16)13(17)15(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of ethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate?
ethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate has a molecular weight of 269.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2,2-dimethylpropanoyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 70974033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).