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

C14H19N3O — CID 82513628

IUPAC1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H19N3O/c18-14-2-1-9-17(14)13-5-3-12(4-6-13)16-10-7-15-8-11-16/h3-6,15H,1-2,7-11H2
InChIKeyGVIVRRNKOXFUGQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.22
Rot. Bonds2

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

1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one (PubChem CID 82513628) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one
PubChem CID82513628
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H19N3O/c18-14-2-1-9-17(14)13-5-3-12(4-6-13)16-10-7-15-8-11-16/h3-6,15H,1-2,7-11H2
InChIKeyGVIVRRNKOXFUGQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1,4-diazepan-1-yl)phenyl]piperidin-2-one
CID 125487296
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069
1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one
CID 82514207
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
4-(2-oxopyrrolidin-1-yl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966549
1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one
CID 103981052
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-(4-ethynylphenyl)pyrrolidin-2-one
CID 134367557
4-pyridin-4-yl-1,4-diazepan-5-one
CID 115100494
1-(4-chlorophenyl)piperidin-2-one
CID 53422142

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one (CID 82513628) is 1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one is O=C1CCCN1c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one?
The InChIKey is GVIVRRNKOXFUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-2-1-9-17(14)13-5-3-12(4-6-13)16-10-7-15-8-11-16/h3-6,15H,1-2,7-11H2.
What are the key properties of 1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one?
1-(4-piperazin-1-ylphenyl)pyrrolidin-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 1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 82513628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).