5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one

C19H25N3O3 — CID 110804076

IUPAC5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(CCC(=O)N2CCN(C(=O)C3CCC(=O)N3)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-2-4-15(5-3-14)6-9-18(24)21-10-12-22(13-11-21)19(25)16-7-8-17(23)20-16/h2-5,16H,6-13H2,1H3,(H,20,23)
InChIKeyWYTNNLFQUYDSNN-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.88
Rot. Bonds4

About 5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110804076) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID110804076
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(CCC(=O)N2CCN(C(=O)C3CCC(=O)N3)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-2-4-15(5-3-14)6-9-18(24)21-10-12-22(13-11-21)19(25)16-7-8-17(23)20-16/h2-5,16H,6-13H2,1H3,(H,20,23)
InChIKeyWYTNNLFQUYDSNN-UHFFFAOYSA-N
XLogP0.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 110804076) is 5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(CCC(=O)N2CCN(C(=O)C3CCC(=O)N3)CC2)cc1.
What is the InChIKey of 5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is WYTNNLFQUYDSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-2-4-15(5-3-14)6-9-18(24)21-10-12-22(13-11-21)19(25)16-7-8-17(23)20-16/h2-5,16H,6-13H2,1H3,(H,20,23).
What are the key properties of 5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110804076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).