1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C19H24N2O4 — CID 33365745

IUPAC1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CN3CCCC3=O)CC2)cc1
InChIInChI=1S/C19H24N2O4/c1-25-16-6-4-14(5-7-16)19(24)15-8-11-20(12-9-15)18(23)13-21-10-2-3-17(21)22/h4-7,15H,2-3,8-13H2,1H3
InChIKeyRPMKXZXRHDVBIH-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.74
Rot. Bonds5

About 1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 33365745) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID33365745
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CN3CCCC3=O)CC2)cc1
InChIInChI=1S/C19H24N2O4/c1-25-16-6-4-14(5-7-16)19(24)15-8-11-20(12-9-15)18(23)13-21-10-2-3-17(21)22/h4-7,15H,2-3,8-13H2,1H3
InChIKeyRPMKXZXRHDVBIH-UHFFFAOYSA-N
XLogP1.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 33365745) is 1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is COc1ccc(C(=O)C2CCN(C(=O)CN3CCCC3=O)CC2)cc1.
What is the InChIKey of 1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is RPMKXZXRHDVBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-25-16-6-4-14(5-7-16)19(24)15-8-11-20(12-9-15)18(23)13-21-10-2-3-17(21)22/h4-7,15H,2-3,8-13H2,1H3.
What are the key properties of 1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 344.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 33365745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).