4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one

C14H19N3O — CID 117365563

IUPAC4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one
SMILESO=C1CN(c2ccccc2C2CCCN2)CCN1
InChIInChI=1S/C14H19N3O/c18-14-10-17(9-8-16-14)13-6-2-1-4-11(13)12-5-3-7-15-12/h1-2,4,6,12,15H,3,5,7-10H2,(H,16,18)
InChIKeyXYNWFNLSHQKZTN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.05
Rot. Bonds2

About 4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one

4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one (PubChem CID 117365563) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one
PubChem CID117365563
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one
SMILESO=C1CN(c2ccccc2C2CCCN2)CCN1
InChIInChI=1S/C14H19N3O/c18-14-10-17(9-8-16-14)13-6-2-1-4-11(13)12-5-3-7-15-12/h1-2,4,6,12,15H,3,5,7-10H2,(H,16,18)
InChIKeyXYNWFNLSHQKZTN-UHFFFAOYSA-N
XLogP1.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-piperidin-3-ylphenyl)piperazin-2-one
CID 117402527
4-[2-[(2R)-pyrrolidin-2-yl]phenyl]morpholine
CID 96807241
1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione
CID 117436069
4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one
CID 117365564
4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one
CID 168513641
2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one
CID 117336460
4-(2-amino-3-pyridinyl)piperazin-2-one
CID 104539681
4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one
CID 117340762
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
4-[2-(ethylaminomethyl)phenyl]piperazin-2-one
CID 43281159
(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one?
The IUPAC name of 4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one (CID 117365563) is 4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one is O=C1CN(c2ccccc2C2CCCN2)CCN1.
What is the InChIKey of 4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one?
The InChIKey is XYNWFNLSHQKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-10-17(9-8-16-14)13-6-2-1-4-11(13)12-5-3-7-15-12/h1-2,4,6,12,15H,3,5,7-10H2,(H,16,18).
What are the key properties of 4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one?
4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one is sourced from PubChem (CID 117365563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).