ethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate

C20H27NO6 — CID 2997984

IUPACethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)CCOc2ccc(C)cc2)CC1
InChIInChI=1S/C20H27NO6/c1-3-25-20(24)16-8-11-21(12-9-16)18(22)14-27-19(23)10-13-26-17-6-4-15(2)5-7-17/h4-7,16H,3,8-14H2,1-2H3
InChIKeyVTJDGAUXHZTTIG-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.11
Rot. Bonds8

About ethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate (PubChem CID 2997984) has the molecular formula C20H27NO6 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate
PubChem CID2997984
Molecular FormulaC20H27NO6
Molecular Weight377.44 g/mol
Exact Mass377.18
IUPAC Nameethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)CCOc2ccc(C)cc2)CC1
InChIInChI=1S/C20H27NO6/c1-3-25-20(24)16-8-11-21(12-9-16)18(22)14-27-19(23)10-13-26-17-6-4-15(2)5-7-17/h4-7,16H,3,8-14H2,1-2H3
InChIKeyVTJDGAUXHZTTIG-UHFFFAOYSA-N
XLogP2.11
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate (CID 2997984) is ethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)CCOc2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate?
The InChIKey is VTJDGAUXHZTTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO6/c1-3-25-20(24)16-8-11-21(12-9-16)18(22)14-27-19(23)10-13-26-17-6-4-15(2)5-7-17/h4-7,16H,3,8-14H2,1-2H3.
What are the key properties of ethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 2997984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).