[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

C19H24N2O4 — CID 4541416

IUPAC[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCC1CCCCN1C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H24N2O4/c1-14-5-2-3-11-20(14)18(23)13-25-19(24)15-7-9-16(10-8-15)21-12-4-6-17(21)22/h7-10,14H,2-6,11-13H2,1H3
InChIKeyREFVCVBNNCBCIK-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.37
Rot. Bonds4

About [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 4541416) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID4541416
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCC1CCCCN1C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H24N2O4/c1-14-5-2-3-11-20(14)18(23)13-25-19(24)15-7-9-16(10-8-15)21-12-4-6-17(21)22/h7-10,14H,2-6,11-13H2,1H3
InChIKeyREFVCVBNNCBCIK-UHFFFAOYSA-N
XLogP2.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (CID 4541416) is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is CC1CCCCN1C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is REFVCVBNNCBCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-14-5-2-3-11-20(14)18(23)13-25-19(24)15-7-9-16(10-8-15)21-12-4-6-17(21)22/h7-10,14H,2-6,11-13H2,1H3.
What are the key properties of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 344.41 g/mol, XLogP of 2.37, 4 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] 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 4541416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).