ethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate

C19H34N2O3 — CID 91704993

IUPACethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate
SMILESCCOC(=O)CCN(C(=O)CN1CCC(C)CC1)C1CCCCC1
InChIInChI=1S/C19H34N2O3/c1-3-24-19(23)11-14-21(17-7-5-4-6-8-17)18(22)15-20-12-9-16(2)10-13-20/h16-17H,3-15H2,1-2H3
InChIKeyRAJSGZJJGDOQHD-UHFFFAOYSA-N
MW338.49 g/mol
LogP2.83
Rot. Bonds7

About ethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate

ethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate (PubChem CID 91704993) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is ethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate
PubChem CID91704993
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Nameethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate
SMILESCCOC(=O)CCN(C(=O)CN1CCC(C)CC1)C1CCCCC1
InChIInChI=1S/C19H34N2O3/c1-3-24-19(23)11-14-21(17-7-5-4-6-8-17)18(22)15-20-12-9-16(2)10-13-20/h16-17H,3-15H2,1-2H3
InChIKeyRAJSGZJJGDOQHD-UHFFFAOYSA-N
XLogP2.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate (CID 91704993) is ethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate is CCOC(=O)CCN(C(=O)CN1CCC(C)CC1)C1CCCCC1.
What is the InChIKey of ethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate?
The InChIKey is RAJSGZJJGDOQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-3-24-19(23)11-14-21(17-7-5-4-6-8-17)18(22)15-20-12-9-16(2)10-13-20/h16-17H,3-15H2,1-2H3.
What are the key properties of ethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate?
ethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate has a molecular weight of 338.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclohexyl-[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 91704993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).