1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one

C20H28N2O3 — CID 70787599

IUPAC1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C)cc1C(=O)N1CCC(CCN2CCCC2=O)CC1
InChIInChI=1S/C20H28N2O3/c1-15-5-6-18(25-2)17(14-15)20(24)22-12-8-16(9-13-22)7-11-21-10-3-4-19(21)23/h5-6,14,16H,3-4,7-13H2,1-2H3
InChIKeyAWOBGUYOPDMSIS-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.87
Rot. Bonds5

About 1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 70787599) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID70787599
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C)cc1C(=O)N1CCC(CCN2CCCC2=O)CC1
InChIInChI=1S/C20H28N2O3/c1-15-5-6-18(25-2)17(14-15)20(24)22-12-8-16(9-13-22)7-11-21-10-3-4-19(21)23/h5-6,14,16H,3-4,7-13H2,1-2H3
InChIKeyAWOBGUYOPDMSIS-UHFFFAOYSA-N
XLogP2.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 70787599) is 1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one is COc1ccc(C)cc1C(=O)N1CCC(CCN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is AWOBGUYOPDMSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15-5-6-18(25-2)17(14-15)20(24)22-12-8-16(9-13-22)7-11-21-10-3-4-19(21)23/h5-6,14,16H,3-4,7-13H2,1-2H3.
What are the key properties of 1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70787599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).