methyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate

C20H24N2O5 — CID 1088979

IUPACmethyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)OC)c3ccccc32)CC1
InChIInChI=1S/C20H24N2O5/c1-3-27-19(24)14-8-10-21(11-9-14)18(23)13-22-12-16(20(25)26-2)15-6-4-5-7-17(15)22/h4-7,12,14H,3,8-11,13H2,1-2H3
InChIKeyDQULTCDKNGMVGX-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.23
Rot. Bonds5

About methyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate

methyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate (PubChem CID 1088979) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate
PubChem CID1088979
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namemethyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)OC)c3ccccc32)CC1
InChIInChI=1S/C20H24N2O5/c1-3-27-19(24)14-8-10-21(11-9-14)18(23)13-22-12-16(20(25)26-2)15-6-4-5-7-17(15)22/h4-7,12,14H,3,8-11,13H2,1-2H3
InChIKeyDQULTCDKNGMVGX-UHFFFAOYSA-N
XLogP2.23
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate (CID 1088979) is methyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate is CCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)OC)c3ccccc32)CC1.
What is the InChIKey of methyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate?
The InChIKey is DQULTCDKNGMVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-3-27-19(24)14-8-10-21(11-9-14)18(23)13-22-12-16(20(25)26-2)15-6-4-5-7-17(15)22/h4-7,12,14H,3,8-11,13H2,1-2H3.
What are the key properties of methyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate?
methyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate is sourced from PubChem (CID 1088979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).