ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate

C14H25NO4 — CID 103484490

IUPACethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1CCC(COC)CC1
InChIInChI=1S/C14H25NO4/c1-3-19-14(17)5-4-13(16)10-15-8-6-12(7-9-15)11-18-2/h12H,3-11H2,1-2H3
InChIKeyAAFGFQKERGRUEP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.26
Rot. Bonds8

About ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate

ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate (PubChem CID 103484490) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate
PubChem CID103484490
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1CCC(COC)CC1
InChIInChI=1S/C14H25NO4/c1-3-19-14(17)5-4-13(16)10-15-8-6-12(7-9-15)11-18-2/h12H,3-11H2,1-2H3
InChIKeyAAFGFQKERGRUEP-UHFFFAOYSA-N
XLogP1.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxopentanoate
CID 103484577
ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate
CID 103484200
3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid
CID 15818985
ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate
CID 103484354
ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate
CID 103484627
ethyl 3-(1-propylpiperidin-4-yl)propanoate
CID 125041797
ethyl 2-(4-propylpiperidin-1-yl)acetate
CID 54019773
ethyl 4-[4-(acetamidomethyl)piperidin-1-yl]-3-oxobutanoate
CID 102736665
ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate
CID 103484634
ethyl 4-(4-methylpiperidin-1-yl)-3-oxobutanoate
CID 60723053
1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one
CID 116593221
ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
CID 43365504

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate?
The IUPAC name of ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate (CID 103484490) is ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate.
What is the SMILES notation for ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate?
The canonical SMILES for ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate is CCOC(=O)CCC(=O)CN1CCC(COC)CC1.
What is the InChIKey of ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate?
The InChIKey is AAFGFQKERGRUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-19-14(17)5-4-13(16)10-15-8-6-12(7-9-15)11-18-2/h12H,3-11H2,1-2H3.
What are the key properties of ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate?
ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate has a molecular weight of 271.36 g/mol, XLogP of 1.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate is sourced from PubChem (CID 103484490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).