1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one

C15H22N4O — CID 117438752

IUPAC1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one
SMILESO=C1CNCCN1c1cccc(CN2CCNCC2)c1
InChIInChI=1S/C15H22N4O/c20-15-11-17-6-9-19(15)14-3-1-2-13(10-14)12-18-7-4-16-5-8-18/h1-3,10,16-17H,4-9,11-12H2
InChIKeyDSXRFKBHWAGCGH-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.03
Rot. Bonds3

About 1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one

1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one (PubChem CID 117438752) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one
PubChem CID117438752
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one
SMILESO=C1CNCCN1c1cccc(CN2CCNCC2)c1
InChIInChI=1S/C15H22N4O/c20-15-11-17-6-9-19(15)14-3-1-2-13(10-14)12-18-7-4-16-5-8-18/h1-3,10,16-17H,4-9,11-12H2
InChIKeyDSXRFKBHWAGCGH-UHFFFAOYSA-N
XLogP0.03
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one
CID 117436479
1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one
CID 117340740
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one
CID 117433968
2-[3-(2-oxopiperazin-1-yl)phenyl]isoindole-1,3-dione
CID 168518984
1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one
CID 84794590
[3-(piperazin-1-ylmethyl)phenyl]methanol
CID 23023149
1-[[3-(triazol-1-yl)phenyl]methyl]piperazine
CID 117360477
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-(3-ethylphenyl)-1,4-diazepane-2,5-dione
CID 64959098
azane;1-benzylpiperazine
CID 174866973
1-(4-iodophenyl)piperazin-2-one
CID 86225191

Frequently Asked Questions

What is the IUPAC name of 1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one?
The IUPAC name of 1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one (CID 117438752) is 1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one?
The canonical SMILES for 1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one is O=C1CNCCN1c1cccc(CN2CCNCC2)c1.
What is the InChIKey of 1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one?
The InChIKey is DSXRFKBHWAGCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15-11-17-6-9-19(15)14-3-1-2-13(10-14)12-18-7-4-16-5-8-18/h1-3,10,16-17H,4-9,11-12H2.
What are the key properties of 1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one?
1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one has a molecular weight of 274.37 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 117438752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).