4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one

C14H19N3O — CID 168513641

IUPAC4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one
SMILESO=C1CN(c2ccccc2N2CCCC2)CCN1
InChIInChI=1S/C14H19N3O/c18-14-11-17(10-7-15-14)13-6-2-1-5-12(13)16-8-3-4-9-16/h1-2,5-6H,3-4,7-11H2,(H,15,18)
InChIKeyAYFIDHOPJDMPRF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.22
Rot. Bonds2

About 4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one

4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one (PubChem CID 168513641) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one
PubChem CID168513641
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one
SMILESO=C1CN(c2ccccc2N2CCCC2)CCN1
InChIInChI=1S/C14H19N3O/c18-14-11-17(10-7-15-14)13-6-2-1-5-12(13)16-8-3-4-9-16/h1-2,5-6H,3-4,7-11H2,(H,15,18)
InChIKeyAYFIDHOPJDMPRF-UHFFFAOYSA-N
XLogP1.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one
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4-(2-piperidin-3-ylphenyl)piperazin-2-one
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4-[2-[(1S)-1-hydroxyethyl]phenyl]-1,4-diazepan-2-one
CID 65366231
4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one
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4-(2-propanoylphenyl)piperazin-2-one
CID 112677272
4-[2-(ethylaminomethyl)phenyl]piperazin-2-one
CID 43281159
2-[[2-(3-oxopiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169339484
2-methyl-3-[2-(3-oxopiperazin-1-yl)phenyl]propanoic acid
CID 117410307
2-fluoro-6-(3-oxo-1,4-diazepan-1-yl)benzoic acid
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4-[2-(aminomethyl)-3-bromophenyl]-1,4-diazepan-2-one
CID 114879712

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one?
The IUPAC name of 4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one (CID 168513641) is 4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one is O=C1CN(c2ccccc2N2CCCC2)CCN1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one?
The InChIKey is AYFIDHOPJDMPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-11-17(10-7-15-14)13-6-2-1-5-12(13)16-8-3-4-9-16/h1-2,5-6H,3-4,7-11H2,(H,15,18).
What are the key properties of 4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one?
4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one is sourced from PubChem (CID 168513641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).