[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate

C18H22ClNO4 — CID 2355125

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESCC1CCN(C(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClNO4/c1-13-8-10-20(11-9-13)17(22)12-24-18(23)7-6-16(21)14-2-4-15(19)5-3-14/h2-5,13H,6-12H2,1H3
InChIKeyMSWJWVPDBQTHFE-UHFFFAOYSA-N
MW351.83 g/mol
LogP3.10
Rot. Bonds6

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate (PubChem CID 2355125) has the molecular formula C18H22ClNO4 and a molecular weight of 351.83 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
PubChem CID2355125
Molecular FormulaC18H22ClNO4
Molecular Weight351.83 g/mol
Exact Mass351.12
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESCC1CCN(C(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClNO4/c1-13-8-10-20(11-9-13)17(22)12-24-18(23)7-6-16(21)14-2-4-15(19)5-3-14/h2-5,13H,6-12H2,1H3
InChIKeyMSWJWVPDBQTHFE-UHFFFAOYSA-N
XLogP3.10
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate (CID 2355125) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate is CC1CCN(C(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The InChIKey is MSWJWVPDBQTHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4/c1-13-8-10-20(11-9-13)17(22)12-24-18(23)7-6-16(21)14-2-4-15(19)5-3-14/h2-5,13H,6-12H2,1H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate has a molecular weight of 351.83 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2355125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).