(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C15H18ClN3O2 — CID 129377317

IUPAC(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)CN1
InChIInChI=1S/C15H18ClN3O2/c16-12-3-1-2-4-13(12)18-5-7-19(8-6-18)15(21)11-9-14(20)17-10-11/h1-4,11H,5-10H2,(H,17,20)/t11-/m1/s1
InChIKeyXXFZYOXTQPUVCL-LLVKDONJSA-N
MW307.78 g/mol
LogP1.12
Rot. Bonds2

About (4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 129377317) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is (4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID129377317
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)CN1
InChIInChI=1S/C15H18ClN3O2/c16-12-3-1-2-4-13(12)18-5-7-19(8-6-18)15(21)11-9-14(20)17-10-11/h1-4,11H,5-10H2,(H,17,20)/t11-/m1/s1
InChIKeyXXFZYOXTQPUVCL-LLVKDONJSA-N
XLogP1.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 129377317) is (4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C1C[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)CN1.
What is the InChIKey of (4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XXFZYOXTQPUVCL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-12-3-1-2-4-13(12)18-5-7-19(8-6-18)15(21)11-9-14(20)17-10-11/h1-4,11H,5-10H2,(H,17,20)/t11-/m1/s1.
What are the key properties of (4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 307.78 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 129377317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).