4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one

C21H31N3O3 — CID 146124667

IUPAC4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one
SMILESCOCCN1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1=O
InChIInChI=1S/C21H31N3O3/c1-27-14-13-24-12-11-22(17-21(24)26)16-20(25)23-9-7-19(8-10-23)15-18-5-3-2-4-6-18/h2-6,19H,7-17H2,1H3
InChIKeyDOBHMKHZYDHFKW-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.26
Rot. Bonds7

About 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one

4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one (PubChem CID 146124667) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one
PubChem CID146124667
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one
SMILESCOCCN1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1=O
InChIInChI=1S/C21H31N3O3/c1-27-14-13-24-12-11-22(17-21(24)26)16-20(25)23-9-7-19(8-10-23)15-18-5-3-2-4-6-18/h2-6,19H,7-17H2,1H3
InChIKeyDOBHMKHZYDHFKW-UHFFFAOYSA-N
XLogP1.26
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one?
The IUPAC name of 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one (CID 146124667) is 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one?
The canonical SMILES for 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one is COCCN1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1=O.
What is the InChIKey of 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one?
The InChIKey is DOBHMKHZYDHFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-27-14-13-24-12-11-22(17-21(24)26)16-20(25)23-9-7-19(8-10-23)15-18-5-3-2-4-6-18/h2-6,19H,7-17H2,1H3.
What are the key properties of 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one?
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one has a molecular weight of 373.50 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one is sourced from PubChem (CID 146124667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).