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

C14H19N3O — CID 117365564

IUPAC4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one
SMILESO=C1CN(c2ccc(C3CCCN3)cc2)CCN1
InChIInChI=1S/C14H19N3O/c18-14-10-17(9-8-16-14)12-5-3-11(4-6-12)13-2-1-7-15-13/h3-6,13,15H,1-2,7-10H2,(H,16,18)
InChIKeyIRSYHXPTCPAGNH-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.05
Rot. Bonds2

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

4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one (PubChem CID 117365564) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one
PubChem CID117365564
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one
SMILESO=C1CN(c2ccc(C3CCCN3)cc2)CCN1
InChIInChI=1S/C14H19N3O/c18-14-10-17(9-8-16-14)12-5-3-11(4-6-12)13-2-1-7-15-13/h3-6,13,15H,1-2,7-10H2,(H,16,18)
InChIKeyIRSYHXPTCPAGNH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one
CID 117402552
1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride
CID 163230247
4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one
CID 117365563
4-(4-ethylphenyl)piperazin-2-one
CID 117005105
4-[4-[(propan-2-ylamino)methyl]phenyl]piperazin-2-one
CID 43281162
4-[4-(2-aminoethyl)phenyl]piperazin-2-one
CID 83822156
2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one
CID 117336462
4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]piperazin-2-one
CID 160505049
4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
CID 155722146
4-[4-[[(2S)-2-pyridin-4-ylazepan-1-yl]methyl]phenyl]piperazin-2-one
CID 97332093
5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole
CID 117372547
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one?
The IUPAC name of 4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one (CID 117365564) is 4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one?
The canonical SMILES for 4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one is O=C1CN(c2ccc(C3CCCN3)cc2)CCN1.
What is the InChIKey of 4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one?
The InChIKey is IRSYHXPTCPAGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-10-17(9-8-16-14)12-5-3-11(4-6-12)13-2-1-7-15-13/h3-6,13,15H,1-2,7-10H2,(H,16,18).
What are the key properties of 4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one?
4-(4-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-(4-pyrrolidin-2-ylphenyl)piperazin-2-one is sourced from PubChem (CID 117365564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).