4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one

C15H19N3O2 — CID 136537548

IUPAC4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)C2CCCN2c2ccccc2)CCN1
InChIInChI=1S/C15H19N3O2/c19-14-11-17(10-8-16-14)15(20)13-7-4-9-18(13)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,19)
InChIKeyZVFKVXRFERJIAO-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.61
Rot. Bonds2

About 4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one

4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one (PubChem CID 136537548) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one
PubChem CID136537548
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)C2CCCN2c2ccccc2)CCN1
InChIInChI=1S/C15H19N3O2/c19-14-11-17(10-8-16-14)15(20)13-7-4-9-18(13)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,19)
InChIKeyZVFKVXRFERJIAO-UHFFFAOYSA-N
XLogP0.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one?
The IUPAC name of 4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one (CID 136537548) is 4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one is O=C1CN(C(=O)C2CCCN2c2ccccc2)CCN1.
What is the InChIKey of 4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one?
The InChIKey is ZVFKVXRFERJIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14-11-17(10-8-16-14)15(20)13-7-4-9-18(13)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,19).
What are the key properties of 4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one?
4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one has a molecular weight of 273.34 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 136537548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).