4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride

C9H16ClN3O2 — CID 130677789

IUPAC4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CN(C(=O)[C@@H]2CCNC2)CCN1
InChIInChI=1S/C9H15N3O2.ClH/c13-8-6-12(4-3-11-8)9(14)7-1-2-10-5-7;/h7,10H,1-6H2,(H,11,13);1H/t7-;/m1./s1
InChIKeyZCLJVFFWQOZZHK-OGFXRTJISA-N
MW233.70 g/mol
LogP-1.02
Rot. Bonds1

About 4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride

4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride (PubChem CID 130677789) has the molecular formula C9H16ClN3O2 and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride
PubChem CID130677789
Molecular FormulaC9H16ClN3O2
Molecular Weight233.70 g/mol
Exact Mass233.09
IUPAC Name4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CN(C(=O)[C@@H]2CCNC2)CCN1
InChIInChI=1S/C9H15N3O2.ClH/c13-8-6-12(4-3-11-8)9(14)7-1-2-10-5-7;/h7,10H,1-6H2,(H,11,13);1H/t7-;/m1./s1
InChIKeyZCLJVFFWQOZZHK-OGFXRTJISA-N
XLogP-1.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride?
The IUPAC name of 4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride (CID 130677789) is 4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride is Cl.O=C1CN(C(=O)[C@@H]2CCNC2)CCN1.
What is the InChIKey of 4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride?
The InChIKey is ZCLJVFFWQOZZHK-OGFXRTJISA-N. The full InChI is InChI=1S/C9H15N3O2.ClH/c13-8-6-12(4-3-11-8)9(14)7-1-2-10-5-7;/h7,10H,1-6H2,(H,11,13);1H/t7-;/m1./s1.
What are the key properties of 4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride?
4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride has a molecular weight of 233.70 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 130677789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).