[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate

C15H22N2O3 — CID 55449279

IUPAC[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)N2CCCCC2C)n1C
InChIInChI=1S/C15H22N2O3/c1-11-7-8-13(16(11)3)15(19)20-10-14(18)17-9-5-4-6-12(17)2/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyDLQJVWBGJMPZRF-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.89
Rot. Bonds3

About [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate (PubChem CID 55449279) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate
PubChem CID55449279
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)N2CCCCC2C)n1C
InChIInChI=1S/C15H22N2O3/c1-11-7-8-13(16(11)3)15(19)20-10-14(18)17-9-5-4-6-12(17)2/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyDLQJVWBGJMPZRF-UHFFFAOYSA-N
XLogP1.89
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 55392624
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate
CID 2505986
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 2558282
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678609
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7277105
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523934
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553647
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate
CID 11930749
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2556660
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580080
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 41105144
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 2582023

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate?
The IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate (CID 55449279) is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate.
What is the SMILES notation for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate?
The canonical SMILES for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate is Cc1ccc(C(=O)OCC(=O)N2CCCCC2C)n1C.
What is the InChIKey of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate?
The InChIKey is DLQJVWBGJMPZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-7-8-13(16(11)3)15(19)20-10-14(18)17-9-5-4-6-12(17)2/h7-8,12H,4-6,9-10H2,1-3H3.
What are the key properties of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate?
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate is sourced from PubChem (CID 55449279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).