methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate

C19H24N2O3 — CID 3155647

IUPACmethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)N2C(C)CCCC2C)c2ccccc12
InChIInChI=1S/C19H24N2O3/c1-13-7-6-8-14(2)21(13)18(22)12-20-11-16(19(23)24-3)15-9-4-5-10-17(15)20/h4-5,9-11,13-14H,6-8,12H2,1-3H3
InChIKeyVCMRAMQSDCSEQO-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.22
Rot. Bonds3

About methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate

methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate (PubChem CID 3155647) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate
PubChem CID3155647
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namemethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)N2C(C)CCCC2C)c2ccccc12
InChIInChI=1S/C19H24N2O3/c1-13-7-6-8-14(2)21(13)18(22)12-20-11-16(19(23)24-3)15-9-4-5-10-17(15)20/h4-5,9-11,13-14H,6-8,12H2,1-3H3
InChIKeyVCMRAMQSDCSEQO-UHFFFAOYSA-N
XLogP3.22
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate (CID 3155647) is methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate is COC(=O)c1cn(CC(=O)N2C(C)CCCC2C)c2ccccc12.
What is the InChIKey of methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate?
The InChIKey is VCMRAMQSDCSEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-7-6-8-14(2)21(13)18(22)12-20-11-16(19(23)24-3)15-9-4-5-10-17(15)20/h4-5,9-11,13-14H,6-8,12H2,1-3H3.
What are the key properties of methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate?
methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate is sourced from PubChem (CID 3155647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).