1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one

C17H22N2O3 — CID 56873264

IUPAC1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1ccc(C(=O)N2CCC(N3CCCC3=O)CC2)cc1O
InChIInChI=1S/C17H22N2O3/c1-12-4-5-13(11-15(12)20)17(22)18-9-6-14(7-10-18)19-8-2-3-16(19)21/h4-5,11,14,20H,2-3,6-10H2,1H3
InChIKeyMHIXHYHFEVKUOI-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.93
Rot. Bonds2

About 1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 56873264) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID56873264
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1ccc(C(=O)N2CCC(N3CCCC3=O)CC2)cc1O
InChIInChI=1S/C17H22N2O3/c1-12-4-5-13(11-15(12)20)17(22)18-9-6-14(7-10-18)19-8-2-3-16(19)21/h4-5,11,14,20H,2-3,6-10H2,1H3
InChIKeyMHIXHYHFEVKUOI-UHFFFAOYSA-N
XLogP1.93
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one (CID 56873264) is 1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one is Cc1ccc(C(=O)N2CCC(N3CCCC3=O)CC2)cc1O.
What is the InChIKey of 1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is MHIXHYHFEVKUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-4-5-13(11-15(12)20)17(22)18-9-6-14(7-10-18)19-8-2-3-16(19)21/h4-5,11,14,20H,2-3,6-10H2,1H3.
What are the key properties of 1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 56873264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).